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Nishtala Appala Narasimham, shortly N. A. Narasimham (15 August 1922 – 8 April 2002) was an Indian physicist and spectroscopist. He was born at Parlakimidi on 15 August 1922. He was graduated in physics (B.Sc.) from Andhra University in 1942 and M.Sc. in physics from Banaras Hindu University (BHU) in 1945. He passed both the examinations with first-class. He has worked as lecturer in physics in Mrs. A.V.N. College, Visakhapatnam and at Bijapur between 1945 and 1949. He has joined with R. K. Asundi at BHU in 1949 and obtained his Ph.D. in 1952. He died in Mumbai on 2002 at the age of 79 years. He is survived by wife Kamala and son Prasad.
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Troy Van Voorhis graduated from North Central High School, Indianapolis, Indiana, in 1994. He graduated with a B.A. from Rice University in 1997. While at Rice, Van Voorhis conducted research under Gus Scuseria, notably developing the first practical implementation of a Meta-GGA in Density Functional Theory (DFT). He went on to pursue a Ph.D. in theoretical chemistry under Martin Head-Gordon at the University of California, Berkeley, graduating in 2001. He went on to Harvard University for postdoctoral research with Eric J. Heller and David R. Reichman. In 2003, he joined the department of chemistry at MIT as a faculty member and was promoted to full professor in 2012. Since 2019, he has been the head of the department of chemistry at MIT. Besides scientific research, he has made numerous videos with the Veritas Forum, in which he discusses his belief that science and religion are not in conflict.
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Computational Chemists
Sir Harold Walter Kroto (born Harold Walter Krotoschiner; 7 October 1939 – 30 April 2016) was an English chemist. He shared the 1996 Nobel Prize in Chemistry with Robert Curl and Richard Smalley for their discovery of fullerenes. He was the recipient of many other honors and awards. Kroto ended his career as the Francis Eppes Professor of Chemistry at Florida State University, which he joined in 2004. Prior to this, he spent approximately 40 years at the University of Sussex. Kroto promoted science education and was a critic of religious faith.
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Basov was born in the town of Usman, now in Lipetsk Oblast in 1922. He finished school in 1941 in Voronezh, and was later called for military service at Kuibyshev Military Medical Academy. In 1943 he left the academy and served in the Red Army participating in the Second World War with the 1st Ukrainian Front.
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Ferland was named as American Astronomical Society Fellow in 2021 and as Fellow of the American Association for the Advancement of Science in 2022. Both cited his development of the Cloudy spectral simulation code. In 2016 he received Catedratico de Excelencia Guillermo Haro from the National Institute of Astrophysics, Optics and Electronics, (Tonantzintla, Puebla, Mexico). A Festschrift was held in his honor at National Autonomous University of Mexico, Mexico City in 2016. He has received many honorary visiting positions: * At Cambridge University ** Staff Member, Institute of Astronomy, 1978-1980 ** Senior Visiting Fellow, 1987, 1990, 2007–2008, 2022 ** Sackler Visiting Fellow, 2007-2008 ** Visiting Associate, Darwin College, 2007-2008 ** Kavli Visiting Fellowship, DAMPT (Applied Maths and Theoretical Physics), 2019 * At Queen's University Belfast ** Distinguished Visiting Fellowship, Centre for Experimental Physics, 2002-2005 ** Leverhulme Professor 2014-2015 ** Visiting Research Professor, School of Mathematics and Physics, 2017-2018 * Other Positions ** Visiting Fellow, Joint Institute for Laboratory Astrophysics, University of Colorado Boulder 1990-1991 ** Visiting Astronomer, Cerro Tololo Interamerican Observatory, La Serena, Chile 1992-1993 ** Visiting Professor, Canadian Institute for Theoretical Astrophysics, University of Toronto, Canada, 1998-1999 ** Visiting Astronomer, Nicolaus Copernicus Astronomical Center, Warsaw, Poland 2015
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In 2009 he shared the Dirac Medal with Michele Parrinello for their development of the ab initio molecular dynamics simulation method. The method combines the quantum mechanical density functional theory for calculation of electronic structure with methods of molecular dynamics for the simulation of classical ("Newtonian") atomic movements. They call their procedure ab initio molecular dynamics ; it is also well known as the Car–Parrinello method. The procedure was jointly developed by both men in 1985, when they were in Trieste. Their procedure has found various applications in solid-state physics, biochemistry, chemical physics, and materials science. In 1990 he received the Hewlett-Packard prize of the European Physical Society, in 1995 the Rahman Prize of the American Physical Society, where he is a Fellow, and in 2009 with Parinello the Sidney Fernbach Award of the IEEE. In 2008, he received the Humboldt Foundation Research Award for senior US scientists. In 2007, a birthday symposium was held at ICTP. He received the Aneesur Rahman prize in computational physics. The Aneesur Rahman Prize is the highest honor given by the American Physical Society for work in computational physics. In 2020 he was awarded the Benjamin Franklin Medal (Franklin Institute) in Chemistry. In 2016 he was elected to the National Academy of Sciences. In the same year he was awarded the American Chemical Society's Award in Theoretical Chemistry.
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Computational Chemists
Joachim Sauer ForMemRS (; born 19 April 1949) is a German quantum chemist and professor emeritus of physical and theoretical chemistry at the Humboldt University of Berlin. He is the husband of the former chancellor of Germany, Angela Merkel. He is one of the seven members of the board of trustees of the Friede Springer Foundation, together with former German president Horst Köhler and others.
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Franck enlisted in the German Army soon after the outbreak of the First World War in August 1914. In December he was sent to the Picardy sector of the Western Front. He became a deputy officer (offizierstellvertreter), and then a lieutenant (leutnant) in 1915. In early 1915 he was transferred to Fritz Habers new unit that would introduce clouds of chlorine gas as a weapon. With Otto Hahn he was responsible for locating sites for the attacks. He was awarded the Iron Cross, Second Class, on 30 March 1915, and the city of Hamburg awarded him the Hanseatic Cross on 11 January 1916. While in hospital with pleurisy, he co-wrote yet another scientific paper with Hertz, and he was appointed an assistant professor in his absence by Frederick William University on 19 September 1916. Sent to the Russian front, he came down with dysentery. He returned to Berlin, where he joined Hertz, Westphal, Hans Geiger, Otto Hahn and others at Habers Kaiser Wilhelm Institute for Physical Chemistry and Electrochemistry, working on the development of gas masks. He was awarded the Iron Cross, First Class, on 23 February 1918. He was discharged from the Army on 25 November 1918, soon after the war ended. With the war over, Habers Kaiser Wilhelm Institute now returned to research, and Haber offered Franck a job. His new post came with more pay, but was not a tenured position. It did however allow Franck to pursue his research as he wished. Working with new, younger collaborators such as Walter Grotrian, Paul Knipping, Thea Krüger, Fritz Reiche and Hertha Sponer, his first papers at the Kaiser Wilhelm Institute examined atomic electrons in their excited state, results that would later prove important in the development of the laser. They coined the term "metastable" for atoms spending an extended time in a state other than that of least energy. When Niels Bohr visited Berlin in 1920, Meitner and Franck arranged for him to come to the Kaiser Wilhelm Institute to talk with the younger staff without the presence of the bonzen' ("bigwigs").
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Established by Stevens and Charles McKenna in 2010 to honor USC distinguished professor Robert Bau after his death in December 2008, the fellowship proposes to help celebrate Professor Bau's life and honor his extraordinary mentorship by linking him to new generations of young chemists at USC.
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Computational Chemists
Robert J. Harrison (born June 19, 1960) is a distinguished expert in high-performance computing. He is a professor in the Applied Mathematics and Statistics department and founding Director of the Institute for Advanced Computational Science at Stony Brook University with a $20M endowment. Through a joint appointment with Brookhaven National Laboratory, Professor Harrison has also been named Director of the Computational Science Center and New York Center for Computational Sciences at Brookhaven. Dr. Harrison comes to Stony Brook from the University of Tennessee and Oak Ridge National Laboratory, where he was Director of the Joint Institute of Computational Science, Professor of Chemistry and Corporate Fellow. He has a prolific career in high-performance computing with over one hundred publications on the subject, as well as extensive service on national advisory committees. He has many publications in peer-reviewed journals in the areas of theoretical and computational chemistry, and high-performance computing. His undergraduate (1981) and post-graduate (1984) degrees were obtained at Cambridge University, England. Subsequently, he worked as a postdoctoral research fellow at the Quantum Theory Project, University of Florida, and the Daresbury Laboratory, England, before joining the staff of the theoretical chemistry group at Argonne National Laboratory in 1988. In 1992, he moved to the Environmental Molecular Sciences Laboratory of Pacific Northwest National Laboratory, conducting research in theoretical chemistry and leading the development of NWChem, a computational chemistry code for massively parallel computers. In August 2002, he started the joint faculty appointment with UT/ORNL, and became director of JICS in 2011. In addition to his DOE Scientific Discovery through Advanced Computing (SciDAC) research into efficient and accurate calculations on large systems, he has been pursuing applications in molecular electronics and chemistry at the nanoscale. In 1999, the NWChem team received an R&D Magazine R&D100 award, in 2002, he received the IEEE Computer Society Sidney Fernbach Award, and in 2011 another R&D Magazine R&D100 award for the development of MADNESS. In 2015-2016, Dr. Harrison co-chaired with Bill Gropp the National Academies of Sciences, Engineering, and Medicine committee on Future Directions for NSF Advanced Computing Infrastructure to Support U.S. Science in 2017-2020. His interests and expertise are in theoretical and computational chemistry, high-performance computing, electron correlation, electron transport, relativistic quantum chemistry, and response theory.
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Richard Alan Morton was the Johnston Professor of Biochemistry at University of Liverpool from 1944 until 1966. He was a pioneer in the application of spectroscopy to biological molecules. His research group were the first to identify vitamin A and related compounds. They were also among the first to characterise several isoprenoids including ubiquinone, polyprenol and others.
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After 30 years of devoting her life to Science, Margaret felt that she had contributed the best of her work. Margarets husband, William Huggins died in 1910. She planned to write the biography of her late husband, but never succeeded. Margaret fell ill and underwent various surgeries and spent some time in hospital. Aware of her illness, she decided to donate her scientific and artistic treasures to Wellesley College in the United States. Margaret greatly admired the achievements of American women in the academic world and supported womens education. Margaret Huggins died on 24 March 1915, at the age of 66. She was cremated and her ashes laid next to Williams at Golders Green Crematorium. Margaret addressed in her will for a memorial to be erected in St. Pauls Cathedral, London, in honor of her husband. This memorial consists of a pair of medallions which are inscribed "William Huggins, astronomer 1824–1910" and the other "Margaret Lindsay Huggins, 1848–1915, his wife and fellow worker". There was a plaque established in 1997 that marks the house she grew up in on 23 Longford Terrace, Monkstown Dublin.
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*American Chemical Society *American Physical Society *[http://www.mrs.org/home/ Materials Research Society] *American Association for the Advancement of Science
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* Mandelstam Prize (1948) * Lenin Prize (1959) * Five Orders of Lenin (including 11 May 1981) * Order of the Patriotic War, 1st class (1985) * Nobel Prize in Physics (1964) * Hero of Socialist Labour, twice (1969, 1986) * Medal For Courage * USSR State Prize (1980) * Order of Merit for the Fatherland, 2nd class (1996) * State Prize of the Russian Federation (1998) * Medal Frederick Ayvesa (2000) * Demidov Prize (2001) * Lomonosov Gold Medal (Moscow State University, 1987) * Award of the Council of Ministers * State Prize of the Russian Federation in science and technology (2003, posthumously) for the development of scientific and technological foundations of metrological support of measurements of length in the microwave and nanometer ranges and their application in microelectronics and nanotechnology * Foreign Member of the Czechoslovak Academy of Sciences (1982) * Jubilee Medal "In Commemoration of the 100th Anniversary since the Birth of Vladimir Il'ich Lenin" * Medal "For the Victory over Germany in the Great Patriotic War 1941–1945" * Jubilee Medal "Twenty Years of Victory in the Great Patriotic War 1941-1945" * Jubilee Medal "Thirty Years of Victory in the Great Patriotic War 1941-1945" * Jubilee Medal "Forty Years of Victory in the Great Patriotic War 1941-1945" * Medal "For Valiant Labour in the Great Patriotic War 1941-1945" * Medal "Veteran of Labour" * Jubilee Medal "50 Years of the Armed Forces of the USSR" * Medal "In Commemoration of the 800th Anniversary of Moscow" * Medal "In Commemoration of the 850th Anniversary of Moscow"
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In 1964 Bernd Michael Rode graduated from high school (“Akademisches Gymnasium Innsbruck”) and commenced studies in chemistry at the University of Innsbruck. In 1973 he received his Ph.D. degree in chemistry with sub auspiciis praesidentis from the University of Innsbruck. In 1973 Prof. Rode started his career as an assistant professor at the Institute of Inorganic and Analytical Chemistry of the University of Innsbruck. After research stays in Germany (University of Stuttgart and University of Karlsruhe) he became an associate professor in Innsbruck in the year 1976. After spending a 1-year research stay at the University of Tokyo, Prof. Rode started his professorship at the Institute of Inorganic and Theoretical Chemistry at the University of Innsbruck. From 2006 to 2011 he was head of the Department of Theoretical Chemistry and head of the Institute for General Inorganic and Theoretical Chemistry. One of Prof. Rode’s largest achievements was the foundation of the University Network ASEA-UNINET (Austrian South East Asian University Partnership Network) in 1994. The foundations for this network were laid by informal contacts between the University of Innsbruck and Thai Universities that date back to the 1970s. In the 1980s partnerships between the University of Innsbruck, the University of Vienna, the University of Agricultural Sciences Vienna, the Chulalongkorn University, the Mahidol University, the Kasetsart University and the Chiang Mai University were concluded. With the target to unify these bilateral partnership agreements into one multilateral network, Prof. Rode invited interested Universities from Austria, Indonesia, Thailand and Vietnam to participate in the first ASEA-UNINET Plenary Meeting in Ho Chi Minh City. In 1994 the network comprised 25 Universities from Austria, Thailand, Indonesia and Vietnam. As of June 2014, more than 70 Universities from 16 European and South-East-Asian countries participate in the network. In addition to his scientific and networking activities, Prof. Rode served during the periods 1998–2001 and 2005–2008 as vice-president in the United Nations Commission on Science and Technology for Development (UNCSTD) representing the WEOG states EU, USA, Canada and Australia. In 2004 he became the first Austrian to serve as president in the United Nations Commission on Science and Technology for Development.
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* Named to the PharmaVoice 100 (2022) * Elected American Association for the Advancement of Science (AAAS) Fellow (2020) * International Scientific Cooperation Award of the Chinese Academy of Sciences (2020) * USC Undergraduate Mentor Award (2019) * Awarded Magnolia Gold Award of Shanghai (2019) * Biophysical Society 2019 Anatrace Membrane Award * National PKU Alliance Award (2018) * The Protein Society, Stein and Moore Award (2018) * Outstanding Faculty Award Shanghai Tech University (2017) * Awarded Magnolia Silver Award of Shanghai (2017) * International Scientific Collaboration Award of Shanghai (2016) * Member, Norwegian Academy of Science and Letters (2016) * Thomson Reuters Highly Cited Researcher, 2014 (biology & biochemistry); 2015 (biology & biochemistry; pharmacology & toxicology) and 2016 (biology & biochemistry; pharmacology & toxicology) * Qian Ren Award, Chinese Academy of Sciences (Shanghai, China) (2002) * Beckman Young Investigators Award (1994) * National Science Foundation's Presidential Young Investigator Award (1994) * Sidhu Award (1992)
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Computational Chemists
In 1990 he received Philadelphia Section Award and the same year got National Institutes of Health Merit Award. Six years have passed and he received another award, this time it was LICOR Award from University of Nebraska. The next year brought him Ellis Lippincott Award from the Optical Society of America. 1998 brought him two chair positions, one was at the Chemical Physics division of the American Physical Society, the other one was at the Biophysical Chemistry division of American Chemical Society. He was also awarded the E. Bright Wilson Award in Spectroscopy. From 2000 till his death he was an Honorary Professor of Physics at University of Strathclyde.
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Matthew Pothen Thekaekara (1914–1974) was an Indian scientist and author of books and papers relating to spectrophotometry and the solar constant besides works on theology. He was instrumental in publishing some of the earliest AM0 spectra, which is a model spectrum of the sun in space. The historic 1973 Thekaekara spectrum was the basis for ASTM E490 (American Society for Testing and Materials Standard Solar Constant and Zero Air Mass Solar Spectral Irradiance Table) from 1974 to 2000, when it was replaced by the most recent AM0 upgrade, in ASTM E490-00. Recent publications such as a 2007 paper authored by fellow Malayali scientist P. Shahmugan made extensive reference to the Thekaekara spectrum. In 2008 a paper by authors from NASA Goddard Space Flight Center and UC Laboratory for Atmospheric and Space Physics also made extensive application of the Thekaekara spectrum.
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Williams introduced an Open Access journal, the ChemSpider Journal of Chemistry, and the development team provided novel online markup technology (ChemMANTIS – Markup And Nomenclature Transformation Integrated System) to allow crowdsourced markup of chemistry related terms linked up, where possible, to the ChemSpider database. Williams is a judge for the Open Notebook Science Challenge. He promotes the use of Open Data, particularly spectral data, publishes in Open Access journals and is an advocate for Open Notebook Science. Williams is an advocate for freeing pre-clinical data from the pharmaceutical industry on the internet. Williams has worked closely with Sean Ekins to advocate the release of pre-competitive pharmaceutical data to the community. He has also participated in the analysis and review of open pharmaceutical data released to the community. Williams, himself a longtime contributor to Wikipedia has been vocal in questioning the notability requirements of Wikipedia itself, comparing pornstars and scientists.
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In 2000, he got Centenary Silver Medal from the Royal Society of Chemistry and three years later received Benjamin Franklin Medal. In 2005, he received F. Albert Cotton Medal from Texas A&M University and in 2007 was awarded A. H. Zewail Award for Ultrafast Science and Technology. Next year, he became an honorary fellow at the Royal Society of Edinburgh and two years later received the Pittsburgh Spectroscopy Award. In 2012, he got even more awards including Linus Pauling Award. He died on 27 February 2013 at the age of 82. After his death, in June 2013 he was posthumously awarded a Doctorate of Science from the University of Edinburgh.
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Spectroscopists
Hochstrasser was born in Edinburgh, Scotland. In 1952 he received his B.S. from Heriot-Watt University and 3 years later got his Ph.D. from University of Edinburgh. In 1957 he joined the faculty at the University of British Columbia. From 1962 to 1967 he was Alfred P. Sloan Foundation fellow and in 1963 he taught chemistry at University of Pennsylvania. During his 50 years of teaching, he trained 75 Ph.D. students and more than 90 postdoctoral fellows. Between 1955 and 1957 he served in the Royal Air Force. He also published numerous of scientific papers and two books; Behaviour of Electrons in Atoms and Molecular Aspects of Symmetry. From 1975 to 2012 he was an editor of the scientific journal called Chemical physics. In 1972 he became visiting professor and fellow at Clare College, Cambridge University, England and next year became visiting professor at Australian National University, Canberra. In 1978 he became a Senior Fellow at Alexander von Humboldt Biological Resources Research Institute and the same year became a fellow at American Physical Society. Next year, he became the Director of the University's Regional Laser and Biotechnology Laboratories and in 1980 became visiting professor at University of Munich.
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Bernd M. Rode’s scientific achievements are reflected in seven monographies / books, more than 440 publications in international research journals and 30 book contributions. According to ISI Thomson's Web of Science citation report these contributions received more than 8300 citations (as of May 2014) with a Hirsch-index of 41. Prof. Rode's research focus lies in Theoretical and Computational as well as Bioinorganic Chemistry. In detail his publications emphasise on the following aspects: * Quantum chemical calculations of molecular and supermolecular systems, * Ab initio Monte Carlo and MD simulations of liquids / solutions, * Electrolyte solution structure, * Ultrafast Dynamics of solutes, * Molecular Modelling of biomolecules and drugs, * QSAR / QSPR, * Chemical Evolution of Peptides/ Proteins and Origin of Life
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Joseph grew up in the village of Vieille Case in Dominica. Her mother was a nurse and her father worked a variety of jobs. She graduated in 2012 with a BSc in Chemistry and mathematics from the University of the West Indies. This was followed by an MPhil in Chemistry at the same institution, graduating in 2014. She subsequently graduated with a DPhil in Chemistry from the University of Cambridge in 2018. She subsequently continued her work at Cambridge in a post-doctoral role in the team of Rosana Collepardo-Guevara. In January 2023 she was appointed Assistant Professor of Chemical and Biological Engineering at Princeton University. She works on the development of computational approaches to determine cellular organisation, in particular liquid–liquid phase separation. Joseph is the founder of CariScholar, an organisation designed to connect students and academics from the Caribbean for mentoring. Mentors include pscyhopharmocologist Kito Barrow, physician Mondel George, engineer Asher Williams, machine learning scientist Randall Martyr, amongst others.
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Curls research at Rice involved the fields of infrared and microwave spectroscopy. Curls research inspired Richard Smalley to come to Rice in 1976 with the intention of collaborating with Curl. In 1985, Curl was contacted by Harold Kroto, who wanted to use a laser beam apparatus built by Smalley to simulate and study the formation of carbon chains in red giant stars. Smalley and Curl had previously used this apparatus to study semiconductors such as silicon and germanium. They were initially reluctant to interrupt their experiments on these semiconductor materials to use their apparatus for Kroto's experiments on carbon, but eventually gave in. They indeed found the long carbon chains they were looking for, but also found an unexpected product that had 60 carbon atoms. Over the course of 11 days, the team studied and determined its structure and named it buckminsterfullerene after noting its similarity to the geodesic domes for which the architect Buckminster Fuller was known. This discovery was based solely on the single prominent peak on the mass spectrograph, implying a chemically inert substance that was geometrically closed with no dangling bonds. Curl was responsible for determining the optimal conditions of the carbon vapor in the apparatus, and examining the spectrograph. Curl noted that James R. Heath and Sean C. OBrien deserve equal recognition in the work to Smalley and Kroto. The existence of this type of molecule had earlier been theorized by others, but Curl and his colleagues were at the time unaware of this. Later experiments confirmed their proposed structure, and the team moved on to synthesize endohedral fullerenes that had a metal atom inside the hollow carbon shell. The fullerenes, a class of molecules of which buckminsterfullerene was the first member discovered, are now considered to have potential applications in nanomaterials and molecular scale electronics. Robert Curls 1985 paper entitled "C60: Buckminsterfullerine", published with colleagues H. Kroto, J. R. Heath, S. C. O’Brien, and R. E. Smalley, was honored by a Citation for Chemical Breakthrough Award from the Division of History of Chemistry of the American Chemical Society, presented to Rice University in 2015. The discovery of fullerenes was recognized in 2010 by the designation of a National Historic Chemical Landmark by the American Chemical Society at the Richard E. Smalley Institute for Nanoscale Science and Technology at Rice University in Houston, Texas. After winning the Nobel Prize in 1996, Curl took a quieter path than Smalley, who became an outspoken advocate of nanotechnology, and Kroto, who used his fame to further his interest in science education, saying, "After winning a Nobel, you can either become a scientific pontificator, or you can have some idea for a new science project and you can use your newfound notoriety to get the resources to do it. Or you can say, Well, I enjoy what I was doing, and I want to keep doing that." True to that humility, when asked by the President of Rice what he would like, following the Nobel announcement, he asked that a bike rack be installed closer to his office and laboratory.
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* [http://journalsonline.tandf.co.uk/(vnbac0mi4qlya1ajcm3lgk45)/app/home/contribution.asp?referrer=parent&backto=issue,5,12;journal,146,726;linkingpublicationresults,1:100678,1 "Potential of a neutral impurity in a large 4He cluster"] * [https://web.archive.org/web/20040330233819/http://mazur-www.harvard.edu/publications.php?function=display&rowid=68 "The infrared multiphoton excitation and photochemistry of DN3"]
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Besley studied physics at Saint Petersburg State University and graduated with a Master of Science (MSci) degree in physics in 1993. In 2000, she completed a joint honours PhD in physics and mathematics at Saint Petersburg State University under the supervision of Alexander Devdariani and joined Queen's University Belfast on a NATO–Royal Society fellowship.
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Pfund was born in Madison, Wisconsin and attended Wisconsin public schools until his entry into the University of Wisconsin–Madison, where he earned a B.S. degree in physics and studied under Robert W. Wood.
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Spectroscopists
Thomas Baer (born Baraboo, Wisconsin) is the executive director of the Stanford Photonics Research Center, a consulting professor in the applied physics department and an associate member of the Stem Cell Institute at Stanford University. His current scientific research is focused on developing imaging and biochemical analysis technology for exploring the molecular basis of human developmental biology and neuroscience. He received a B.A. in physics from Lawrence University in 1974, and a Ph.D. in atomic physics from the University of Chicago in 1979, where he studied with Professors Ugo Fano and Isaac Abella. After receiving his Ph.D. he worked with Nobel Laureate John L. Hall at JILA, University of Colorado, performing research on frequency stabilized lasers and ultra-high precision molecular spectroscopy.
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Martins work with Corwin Hansch led to her ongoing work in QSAR, using computers to develop both 2D and 3D models capturing the chemical and biological properties of molecules. As an early proponent of computational chemistry and its use in drug design, she developed combinatorial chemistry and molecular graphics techniques and was involved in the development of software packages for pharmacophore analysis such as DISCO and ALADDIN. Her work has directly affected modern day drug discovery and supported the computer design of novel compounds. Martin has particularly focused on identifying properties of molecules relevant to biological activity, including their potency, binding affinity, and ADME properties. Her methods have been applied to the study of diseases including hypertension, Parkinsons disease, ulcers, bacterial infections, arthritis, and angina. She has also significantly contributed to the development of compound collections and combinatorial libraries which investigators can use to develop and compare measures of molecular similarity and diversity. Her collection of MAO (monoamine oxidase) inhibitors has been widely used by researchers.
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Computational Chemists
Following the retirement in 2007 from Hannover professorship, Werner Urland resumed the scientific activity as guest senior researcher in the group of Professor Claude Daul at University of Fribourg (Switzerland), where he proposed a topic related to the so-called "Warm-White Light", namely the improvement of blue-type Light-emitting diodes (LEDs) towards the better resemblance to the sunlight spectrum by coating with appropriate phosphors based on lanthanide doped materials. The topic represents a hot relevance in the context of the trends of eliminating traditional incandescent light bulbs, for the sake of energy saving new technologies . This technological challenge is underlined by the award of the 2014 Nobel Prize in Physics "for the invention of efficient blue light-emitting diodes, which has enabled bright and energy-saving white light sources" to Shuji Nakamura, Isamu Akasaki and Hiroshi Amano and by the declaration of 2015 as International Year of Light and Light-based Technologies, (IYL 2015). Hybridizing Werner's Urland expertise in experimental and theoretical aspects of rare earth materials with a computation and analysis methodology due to C. Daul and M. Atanasov, altogether with methodological knowledge of external collaborators of the group, a series of works was produced, dealing with the analysis and prediction form first principles of the key factors in the luminescence of relevant lanthanide ions in various environments. The modelling is based on a set of algorithmic steps abbreviated as LFDFT, consisting in non-routine calculations in the frame of Density Functional Theory (DFT) followed by the analysis in the frame of Ligand Field Theory. The issue of first principles calculations on rare-earth systems is non-trivial, because of special features of the f-shell, such as the shielded and weakly interacting nature, that poses technical and conceptual difficulties, in relation to modern methods of quantum chemistry. The specific problem of the modelling the luminescence of rare-earth systems called the need of extending the ligand field phenomenology, from its one-shell status (dedicated to d or f electrons) to a two-shell Hamiltonian (quantum mechanics), comprising simultaneously the d and f shells, because the involved optical transitions have inter-shell nature. Also recently, Werner Urland, entered the terrain of actinide chemistry, explaining intriguing magnetic behaviour due strong ligand field on uranium(IV) ions in thiophosphates and silicates. The whole deal underlines the validity and renewed value of Werner Urland's early ideas about the theoretical and practical aspects emerging from the chemistry and physics of f-elements.
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Computational Chemists
Raman never seemed to have thought highly of the Fellowship of the Royal Society. He tendered his resignation as a Fellow on 9 March 1968, which the Council of the Royal Society accepted on 4 April. However, the exact reason was not documented. One reason could be Raman's objection to the designation "British subjects" as one of the categories of the Fellows. Particularly after the Independence of India, the Royal Society had its own disputes on this matter. According to Subrahmanyan Chandrasekhar, The London Times had once made a list of the Fellows, in which Raman was omitted. Raman wrote to and demanded explanation from Patrick Blackett, the then President of the society. He was dejected by Blacketts response that the society had no role in the newspaper. According to Krishnan, another cause was a disapproving review Raman received on a manuscript he had submitted to the Proceedings of the Royal Society'. It could have been these cumulative factors as Raman wrote in his resignation letter, and said, "I have taken this decision after careful consideration of all the circumstances of the case. I would request that my resignation be accepted and my name removed from the list of the Fellows of the Society."
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Gavin Earl Crooks is known for his work on non-equilibrium thermodynamics and statistical mechanics. He discovered the Crooks fluctuation theorem, a general statement about the free energy difference between the initial and final states of a non-equilibrium transformation.
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* 1991: Chemistry Prize of the Göttingen Academy of Sciences and Humanities * 1995: Member of the Berlin-Brandenburg Academy of Sciences and Humanities * 2006: External scientific member of the Fritz Haber Institute of the Max Planck Society * 2007: Member of the Academy of Sciences Leopoldina * 2009: Member of the Academia Europaea * 2010: Liebig Medal * 2013: Honorary Doctor of Science, University College London * 2018: Foreign Member of the Royal Society * 2019: Schrödinger Medal
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Computational Chemists
Nico van der Vegt (born 1970 in Raalte) is a Dutch chemist and a professor for computational physical chemistry at Technische Universität Darmstadt.
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*The Global Carbon Cycle (Princeton Primers in Climate), The Global Carbon Cycle (Princeton Primers in Climate) *The Warming Papers: The Scientific Foundation for the Climate Change Forecast, 2010, edited with Raymond Pierrehumbert, , 432 pages *The Long Thaw: How Humans Are Changing the Next 100,000 Years of Earths Climate', 2008, , 192 pages *The Climate Crisis: An Introductory Guide to Climate Change, 2010, , 260 pages *Global Warming: Understanding the Forecast, 2006, , 208 pages
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* Election as an ACS Fellow (2010). * ACS Award for Computers in Chemical and Pharmaceutical Research (2010). * Alumni Citation, Washington College (2011). * Election as a fellow of the American Association for the Advancement of Science (1999). * John Simon Guggenheim Fellowship (1996-1997).
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Computational Chemists
He spent a few years as an IBM Postdoctoral Fellow and Research Assistant Professor at Rutgers University. He worked as a Professor in POSTECH from 1988 to 2014, and he is currently a Distinguished Professor at Ulsan National Institute of Science and Technology (UNIST).
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Computational Chemists
Thomas E. Nevin was born in Bristol, Somerset on 4 October 1906. He was the eldest of seven children born to Thomas Nevin of Cashel, County Tipperary, and Alice Nevin (née Higginson) of Herefordshire. Áine Ní Chnáimhín (1908–2001) who wrote a biography of Pádraic Ó Conaire was Nevin's sister; historian and trade unionist Donal Nevin was his brother. In January 1936 he married Monica T. M. Morrissey, a UCD graduate in Celtic studies who went on to serve on the Council of the Royal Society of Antiquaries of Ireland and did research on antiquarian matters for Irish History Online. The couple had four daughters together.
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Spectroscopists
In September 1940, Rabi became a member of the Scientific Advisory Committee of the U.S. Army's Ballistic Research Laboratory. That month, the British Tizard Mission brought a number of new technologies to the United States, including a cavity magnetron, a high-powered device that generates microwaves using the interaction of a stream of electrons with a magnetic field. This device promised to revolutionize radar, so Alfred Lee Loomis of the National Defense Research Committee decided to establish a new laboratory at the Massachusetts Institute of Technology (MIT) to develop this radar technology. The name Radiation Laboratory was chosen as both unremarkable and a tribute to the Berkeley Radiation Laboratory. Loomis recruited Lee DuBridge to run it. Loomis and DuBridge recruited physicists for the new laboratory at an Applied Nuclear Physics conference at MIT in October 1940. Among those who volunteered was Rabi. His assignment was to study the magnetron, which was so secret that it had to be kept in a safe. The Radiation Laboratory scientists set their sights on producing a microwave radar set by January 6, 1941, and having a prototype installed in a Douglas A-20 Havoc by March. This was done; the technological obstacles were gradually overcome, and a working US microwave radar set was produced. The magnetron was further developed on both sides of the Atlantic to permit a reduction in wavelength from 150 cm to 10 cm, and then to 3 cm. The laboratory went on to develop air-to-surface radar to detect submarines, the SCR-584 radar for fire control, and LORAN, a long-range radio navigation system. At Rabi's instigation, a branch of the Radiation Laboratory was located at Columbia, with Rabi in charge. In 1942 Robert Oppenheimer attempted to recruit Rabi and Robert Bacher to work at the Los Alamos Laboratory on a new secret project. They convinced Oppenheimer that his plan for a military laboratory would not work, since a scientific effort would need to be a civilian affair. The plan was modified, and the new laboratory would be a civilian one, run by the University of California under contract from the War Department. In the end, Rabi still did not go west, but did agree to serve as a consultant to the Manhattan Project. Rabi attended the Trinity test in July 1945. The scientists working on Trinity set up a betting pool on the yield of the test, with predictions ranging from total dud to 45 kilotons of TNT equivalent (kt). Rabi arrived late and found the only entry left was for 18 kilotons, which he purchased. Wearing welding goggles, he waited for the result with Ramsey and Enrico Fermi. The blast was rated at 18.6 kilotons, and Rabi won the pool.
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Spectroscopists
In 1992, Stevens worked with researchers at Gilead on the structural studies of neuraminidase inhibitors that eventually became Tamiflu, and later partnered with Roche. After the initial experience with structure based drug discovery from 1992 to 1997 with Gilead and Tamiflu, Stevens focused on understanding the basic mechanism of how Botox (botulinum toxin) works, and on ways to use this scaffold for next generation protein therapeutics. In parallel to the work on botulinum toxin, he worked on the enzymes involved in the catecholamine biosynthetic pathway, specifically the three aromatic amino acid hydroxylases including phenylalanine hydroxylase. From 1999 to 2004, Stevens was involved in the startup of Syrrx that developed the marketed drug Nesina for type II diabetes. From 2000 to 2010, Stevens has worked with BioMarin Pharmaceutical to develop Kuvan (tetrahydrobiopterin) and assisted in the design and development of PEG-PAL (pegylated Phenylalanine ammonia-lyase) as treatments for mild and classical phenylketonuria (PKU). In 2008, Stevens started Receptos that developed an S1P1 agonist for multiple sclerosis and inflammatory bowel disease, now on the market called Zeposia and sold by BMS.
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Computational Chemists
Bloembergen was born in Dordrecht on March 11, 1920, where his father was a chemical engineer and executive. He had five siblings, with his brother Auke later becoming a legal scholar. In 1938, Bloembergen entered the University of Utrecht to study physics. However, during World War II, the German authorities closed the university and Bloembergen spent two years in hiding.
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Spectroscopists
Jameson was born in the Philippines. She completed her bachelor's degree in chemistry at the University of the Philippines in 1958. She graduated magna cum laude. She moved to America for her graduate studies, earning a PhD as a Fulbright Program scholar at the University of Illinois at Urbana–Champaign in 1963. Her graduate work involved the prediction of chemical shifts in nuclear magnetic resonance spectroscopy under the supervision of Herbert S. Gutowsky. She was awarded the Eastman Award for the most outstanding chemistry graduate student. She completed postdoctoral studies with Martin Karplus at Columbia University. She mapped the NMR Chemical Shift and indirect coupling constants across the whole periodic table. She worked won the relationship between dihedral angle and spin-orbit coupling.
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Spectroscopists
Robert Eugene Williams (October 14, 1940) is an American astronomer who served as the director of the Space Telescope Science Institute (STScI) from 1993 to 1998, and the president of the International Astronomical Union (IAU) from 2009 to 2012. Prior to his work at STScI, he was a professor of astronomy at the University of Arizona in Tucson for 18 years and the director of Cerro Tololo Inter-American Observatory from 1986 to 1993.
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Spectroscopists
In his memory, an endowment for an annual lecture to take a "particular account would be taken of Harry’s interest in spectroscopy" was created in 1977 with an appeal made for donations in the Journal of Molecular Structure. The lectureship is administered by the South Wales West Local Section of the Royal Society of Chemistry.
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Spectroscopists
* [https://onlinelibrary.wiley.com/doi/abs/10.1002/phbl.19850411115 L. Genzel, W. Martienssen, H. A. Müser: Marianus Czerny zum Gedenken, Phys. Blätter, Band 41, 1985, S. 385] * [https://onlinelibrary.wiley.com/doi/abs/10.1002/phbl.19560120205 G. Hettner, Marianus Czerny 60 Jahre, Phys. Blätter, Februar 1956] * [https://onlinelibrary.wiley.com/doi/abs/10.1002/phbl.19810370208 Ludwig Genzel: Marianus Czerny zum 80. Geburtstag: Lieber Herr Czerny !, Phys. Blätter, Band 37, Februar 1981]
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Spectroscopists
Khitrova was named a Fellow of The Optical Society in 2007, "for leadership in research in fundamental optical phenomena in semiconductor nanostructures". She was named a Fellow of the American Physical Society (APS) in 2012, after a nomination by the APS Division of Laser Science, "for fundamental studies of pump probe spectroscopy of atomic vapors and light-matter coupling of cavity fields with quantum wells and dots. In particular, for demonstrating the quantum regime of semiconductor cavity quantum electrodynamics via the vacuum Rabi splitting between a single quantum dot and the field in a photonic crystal nanocavity."
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Spectroscopists
In 1972 Bancroft took part in a workshop organised by Bill McGowan of (UWO) on the uses of synchrotron radiation, an event he has described "the beginning of my 30 year odyssey to develop Canadian synchrotron capabilities in the US and then in Canada". He began work at the Synchrotron Radiation Center (SRC) at the University of Wisconsin-Madison, US, in 1975, as a result of contact established with then-SRC director Ed Rowe at the 1972 meeting. After several failed attempts were made to establish a synchrotron facility in Canada, Bancroft submitted a proposal to the NRC to build a Canadian beamline at SRC. In 1978 the newly created NSERC awarded capital funding, and the Canadian Synchrotron Radiation Facility (CSRF) was founded. CSRF, owned and operated by NRC, with Bancroft as scientific director, grew from the initial beamline to a total of three by 1998.
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Spectroscopists
Herzberg authored some classic works in the field of spectroscopy, including Atomic Spectra and Atomic Structure and the encyclopaedic four volume work: Molecular Spectra and Molecular Structure, which is often called the spectroscopist's bible. The three volumes of Molecular Spectra and Molecular Structure were re-issued by Krieger in 1989, including extensive new footnotes by Herzberg. Volume IV of the series, "Constants of diatomic molecules" is purely a reference work, a compendium of known spectroscopic constants (and therefore a bibliography of molecular spectroscopy) of diatomic molecules up until 1978. * Atomic Spectra and Atomic Structure. (Dover Books, New York, 2010, ) * The spectra and structures of simple free radicals: An introduction to molecular spectroscopy. (Dover Books, New York, 1971, ). * Molecular Spectra and Molecular Structure: I. Spectra of Diatomic Molecules. (Krieger, 1989, ) * Molecular Spectra and Molecular Structure: II. Infrared and Raman Spectra of Polyatomic Molecules. (Krieger, 1989, ) * Molecular Spectra and Molecular Structure: III. Electronic Spectra and Electronic Structure of Polyatomic Molecules. (Krieger, 1989, ) * Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules, K. P. Huber and G. Herzberg, (Van nostrand Reinhold company, New York, 1979, ).
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Spectroscopists
James Andrew McCammon (born 1947, Lafayette, Indiana, US) is an American physical chemist known for his application of principles and methods from theoretical and computational chemistry to biological systems. A professor at the University of California, San Diego, McCammon's research focuses on the theoretical aspects of biomolecular and cellular activity. In 2011 he was elected to the National Academy of Sciences. Prof. McCammon co-authored Dynamics of Proteins and Nucleic Acids (Cambridge University Press, 1987; ), an important contribution to molecular mechanics and molecular dynamics, with Stephen Harvey, while the first published reports on molecular mechanics and molecular dynamics can be found as early as 1976, most likely even earlier.
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Computational Chemists
Siegbahn was born in Örebro, Sweden, the son of Georg Siegbahn and his wife, Emma Zetterberg. He graduated in Stockholm 1906 and began his studies at Lund University in the same year. During his education he was secretarial assistant to Johannes Rydberg. In 1908 he studied at the University of Göttingen. He obtained his doctorate (PhD) at the Lund University in 1911, his thesis was titled Magnetische Feldmessungen (magnetic field measurements). He became acting professor for Rydberg when his (Rydberg's) health was failing, and succeeded him as full professor in 1920. However, in 1922 he left Lund for a professorship at Uppsala University. In 1937, Siegbahn was appointed Director of the Physics Department of the Nobel Institute of the Royal Swedish Academy of Sciences. In 1988 this was renamed the Manne Siegbahn Institute (MSI). The institute research groups have been reorganized since, but the name lives on in the Manne Siegbahn Laboratory hosted by Stockholm University.
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Spectroscopists
Millikan died of a heart attack at his home in San Marino, California in 1953 at age 85, and was interred in the "Court of Honor" at Forest Lawn Memorial Park Cemetery in Glendale, California. On January 26, 1982, he was honored by the United States Postal Service with a 37¢ Great Americans series (1980–2000) postage stamp. Tektronix named a street on their Portland, Oregon, campus after Millikan with the Millikan Way (MAX station) of Portland's MAX Blue Line named after the street.
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Spectroscopists
Sir John Frederick William Herschel, 1st Baronet (; 7 March 1792 – 11 May 1871) was an English polymath active as a mathematician, astronomer, chemist, inventor, and experimental photographer who invented the blueprint and did botanical work. Herschel originated the use of the Julian day system in astronomy. He named seven moons of Saturn and four moons of Uranus – the seventh planet, discovered by his father Sir William Herschel. He made many contributions to the science of photography, and investigated colour blindness and the chemical power of ultraviolet rays. His Preliminary Discourse (1831), which advocated an inductive approach to scientific experiment and theory-building, was an important contribution to the philosophy of science.
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Spectroscopists
# Université Libre de Bruxelles (Belgium) # University of Stockholm (Sweden) # University of Limburg (now Hasselt University) (Belgium) # University of Sheffield (UK) # University of Kingston (UK) # University of Sussex (UK) # University of Helsinki (Finland) # University of Nottingham (UK) # Yokohama City University (Japan) # University of Sheffield-Hallam (UK) # University of Aberdeen (Scotland) # University of Leicester (UK) # University of Aveiro (Portugal) # University of Bielefeld (Germany) # University of Hull (UK) # Manchester Metropolitan University (UK) # Hong Kong City University (HK China) # Gustavus Adolphus College (Minnesota, US) # University College London (UK) # University of Patras (Greece) # University of Dalhousie (Halifax, NovaScotia, Canada) # University of Strathclyde (Scotland) # University of Manchester (UK) # AGH University of Science and Technology in Kraków (Poland) # University of Durham (UK) # Queens University Belfast (NI) # University of Surrey (UK) # Polytechnico di Torino (Italy) # University of Chemical Technology – Beijing (China) # University of Liverpool (UK) # Florida Southern College (US) # Keio University (Japan) # University of Chiba (Japan) # University of Bolton (UK) # University of Hartford (US) # University of Tel Aviv (Israel) # University of Poitiers (France) # Universidad Complutense de Madrid # Naresuan University (Thailand) # Vietnam National University (Hanoi) # University of Edinburgh (Scotland) # University of Primorska (Slovenia) ;Returned due to closure of Chemistry Departments # Hertfordshire University # Exeter University
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Spectroscopists
Sir Chandrasekhara Venkata Raman (; 7 November 188821 November 1970) was an Indian physicist known for his work in the field of light scattering. Using a spectrograph that he developed, he and his student K. S. Krishnan discovered that when light traverses a transparent material, the deflected light changes its wavelength and frequency. This phenomenon, a hitherto unknown type of scattering of light, which they called "modified scattering" was subsequently termed the Raman effect or Raman scattering. Raman received the 1930 Nobel Prize in Physics for the discovery and was the first Asian to receive a Nobel Prize in any branch of science. Born to Tamil Brahmin parents, Raman was a precocious child, completing his secondary and higher secondary education from St Aloysius Anglo-Indian High School at the age of 11 and 13, respectively. He topped the bachelors degree examination of the University of Madras with honours in physics from Presidency College at age 16. His first research paper, on diffraction of light, was published in 1906 while he was still a graduate student. The next year he obtained a master's degree. He joined the Indian Finance Service in Calcutta as Assistant Accountant General at age 19. There he became acquainted with the Indian Association for the Cultivation of Science (IACS), the first research institute in India, which allowed him to carry out independent research and where he made his major contributions in acoustics and optics. In 1917, he was appointed the first Palit Professor of Physics by Ashutosh Mukherjee at the Rajabazar Science College under the University of Calcutta. On his first trip to Europe, seeing the Mediterranean Sea motivated him to identify the prevailing explanation for the blue colour of the sea at the time, namely the reflected Rayleigh-scattered light from the sky, as being incorrect. He founded the Indian Journal of Physics in 1926. He moved to Bangalore in 1933 to become the first Indian director of the Indian Institute of Science. He founded the Indian Academy of Sciences the same year. He established the Raman Research Institute in 1948 where he worked to his last days. The Raman effect was discovered on 28 February 1928. The day is celebrated annually by the Government of India as the National Science Day.
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Spectroscopists
In 1833, Bunsen became a lecturer at Göttingen and began experimental studies of the (in)solubility of metal salts of arsenous acid. His discovery of the use of iron oxide hydrate as a precipitating agent led to what is still today the most effective antidote against arsenic poisoning. This interdisciplinary research was carried on and published in conjunction with the physician Arnold Adolph Berthold. In 1836, Bunsen succeeded Friedrich Wöhler at the Polytechnic School of Kassel (). Bunsen taught there for three years, and then accepted an associate professorship at the University of Marburg, where he continued his studies on cacodyl derivatives. He was promoted to full professorship in 1841. While at University of Marburg, Bunsen participated in the 1846 expedition for the investigation of Iceland's volcanoes. Bunsens work brought him quick and wide acclaim, partly because cacodyl, which is extremely toxic and undergoes spontaneous combustion in dry air, is so difficult to work with. Bunsen almost died from arsenic poisoning, and an explosion with cacodyl cost him sight in his right eye. His work with Cadets fuming liquid was an important step in the development of the radical theory of organic compounds. In 1841, Bunsen created the Bunsen cell battery, using a carbon electrode instead of the expensive platinum electrode used in William Robert Grove's electrochemical cell. Early in 1851 he accepted a professorship at the University of Breslau, where he taught for three semesters. In late 1852, Bunsen became the successor of Leopold Gmelin at the University of Heidelberg. There he used electrolysis to produce pure metals, such as chromium, magnesium, aluminium, manganese, sodium, barium, calcium, and lithium. A long collaboration with Henry Enfield Roscoe began in 1852, in which they studied the photochemical formation of hydrogen chloride (HCl) from hydrogen and chlorine. From this work, the reciprocity law of Bunsen and Roscoe originated. He discontinued his work with Roscoe in 1859 and joined Gustav Kirchhoff to study emission spectra of heated elements, a research area called spectrum analysis. For this work, Bunsen and his laboratory assistant, Peter Desaga, had perfected a special gas burner by 1855, which was influenced by earlier models. The newer design of Bunsen and Desaga, which provided a very hot and clean flame, is now called simply the "Bunsen burner", a common laboratory equipment. There had been earlier studies of the characteristic colors of heated elements, but nothing systematic. In the summer of 1859, Kirchhoff suggested to Bunsen that he should try to form prismatic spectra of these colors. By October of that year, the two scientists had invented an appropriate instrument, a prototype spectroscope. Using it, they were able to identify the characteristic spectra of sodium, lithium, and potassium. After numerous laborious purifications, Bunsen proved that highly pure samples gave unique spectra. In the course of this work, Bunsen detected previously unknown new blue spectral emission lines in samples of mineral water from Dürkheim. He guessed that these lines indicated the existence of an undiscovered chemical element. After careful distillation of forty tons of this water, in the spring of 1860 he was able to isolate 17 grams of a new element. He named the element "caesium", after the Latin word for deep blue. The following year he discovered rubidium, by a similar process. In 1860, Bunsen was elected a foreign member of the Royal Swedish Academy of Sciences. He was elected as a member of the American Philosophical Society in 1862. In 1877, Robert Bunsen together with Gustav Robert Kirchhoff were the first recipients of the prestigious Davy Medal "for their researches and discoveries in spectrum analysis".
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Spectroscopists
Marom joined the University of Texas at Austin as a postdoctoral researcher in 2010. She moved to Tulane University as an assistant professor in physics in 2013. In 2016 Marom was appointed as an assistant professor at Carnegie Mellon University. She is a member of the Pittsburgh Quantum Institute. Her work considers molecular crystals that are bound by Van der Waals interactions. As Van de Waals interactions are weak, molecules can adopt a range of crystal structures. These are known as polymorphs, and can be predicted using computational simulations. The chemical and physical properties of these systems are determined by their crystal structure. Maron develops genetic algorithms that predict the structure of molecular crystals using the principles of survival of the fittest. Marons work uses density functional theory and many-body perturbation theory to study complex atomic systems. She has investigated the GW approximation for molecules. The materials investigated by Marom can be used for dye-sensitized solar cells.
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Computational Chemists
Born in Denver, Colorado, Hall holds three degrees from Carnegie Institute of Technology, a B.S. in 1956, an M.S. in 1958, and a Ph.D. in 1961. He completed his postdoctoral studies at the Department of Commerce's National Bureau of Standards, now the National Institute of Standards and Technology (NIST), where he remained from 1962 until his retirement in 2004. He has lectured at the University of Colorado Boulder since 1967. Hall is currently a NIST Senior Fellow, emeritus, and remains a Fellow at JILA, formerly the Joint Institute for Laboratory Astrophysics, and lecturer at the CU-Boulder Physics Department. JILA is a research institute managed jointly by CU-Boulder and NIST. Hall shared half of the Nobel Prize with Theodor W. Hänsch for their pioneering work on laser-based precision spectroscopy and the optical frequency comb technique. The other half of the prize was awarded to Roy J. Glauber. Hall has received many other honors for his pioneering work, including the Optical Society of America's Max Born Award "for pioneering the field of stable lasers, including their applications in fundamental physics and, most recently, in the stabilization of femtosecond lasers to provide dramatic advances in optical frequency metrology". Hall is one of the 20 American recipients of the Nobel Prize in Physics to sign a letter addressed to President George W. Bush in May 2008, urging him to "reverse the damage done to basic science research in the Fiscal Year 2008 Omnibus Appropriations Bill" by requesting additional emergency funding for the Department of Energy’s Office of Science, the National Science Foundation, and the National Institute of Standards and Technology. In 2015, Hall signed the Mainau Declaration 2015 on Climate Change on the final day of the 65th Lindau Nobel Laureate Meeting. The declaration was signed by a total of 76 Nobel Laureates and handed to then-President of the French Republic, François Hollande, as part of the successful COP21 climate summit in Paris.
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Spectroscopists
* [https://books.google.com/books?id=QQlUAAAAcAAJ Kurzer Umriß der Lebens-Geschichte des Herrn Dr. Joseph von Fraunhofer]. By Joseph von Utzschneider. Rösl, 1826. * [https://archive.org/details/prismaticanddif00wollgoog Prismatic and diffraction spectra]: memoirs. By Joseph von Fraunhofer, William Hyde Wollaston. American Book Co., 1899.
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Spectroscopists
* Frederick Sumner Brackett, An Examination of the Infra-Red Spectrum of the Sun, lambda 8900 - lambda 9900, Astrophysical Journal, vol. 53, (1921) p. 121; * Frederick Sumner Brackett, Visible and Infra-Red Radiation of Hydrogen; Ph.D. dissertation, Johns Hopkins University, 1922 * Frederick Sumner Brackett, Visible and Infra-Red Radiation of Hydrogen; Astrophysical Journal, vol. 56, (1922) p. 154; * Frederick Sumner Brackett, Graphic correlation of radiation and biological data, City of Washington, The Smithsonian Institution, 1932, 1 p. l., 7 p. diagrs. 24½ cm * F. S. Brackett and Earl S. Johnston, The functions of radiation in the physiology of plants, City of Washington, Smithsonian Institution, 1932, 2 v. illus., plates, diagrs. 25 cm. * The present state of physics; a symposium presented on December 30, 1949, at the New York meeting of the American Association for the Advancement of Science. Arranged by Frederick S. Brackett. Freeport, N.Y., Books for Libraries Press [1970, c1954] vi, 265 p. illus. 24 cm. * Dr. John Andraos, [https://web.archive.org/web/20160303170848/http://www.chem.yorku.ca/NAMED/PDF-FILES/con1.pdf Named Concepts in Chemistry (A-K)], York University, 2001
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Spectroscopists
Born Anne Patricia Pery, she attended Chelsea Polytechnic, where she sat the London University Intermediate examination in Physics, Chemistry, Pure and Applied Mathematics in 1946. This qualification enabled her to join Oxford University in 1947, where she was a member of St Hugh's College, Oxford. She received a BA Hons degree in Physics and Mathematics in 1950 and stayed on for a further four years as a post-graduate.
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Spectroscopists
Ocean Optics miniature spectrometers have been used on the Mir Space Station, the Space Shuttle, and the Mars rover Curiosity'. In 2009, an Ocean Optics QE65000 Spectrometer named "ALICE" was modified by Aurora Design & Technology for use in NASA's Lunar CRater Observation and Sensing Satellite (LCROSS) mission. ALICE measured ultraviolet light resulting from the impact of the Centaur upper rocket stage on the floor of the crater Cabeus. This confirmed that water ice is present on the moon. The Rocky 7 Rover prototype used an Ocean Optics point spectrometer which was sensitive in the range of 350-800 nm. Three Ocean Optics HR2000 spectrometers were customized as part of the ChemCam unit of the NASA Mars Science Laboratory rover, Curiosity, which was launched November 26, 2011. The spectrometers were configured to measure different wavelengths of light, in the ranges of 240-336 nm, 380-470 nm, and 470-850 nm. The Laser Induced Breakdown Spectrometer (LIBS) used a laser to fire a series of very short pulses at a nearby target. The initial shots cleared away any dust, while the later ones heated the rock to create a flash of ionized gas or plasm. The resulting light was measured by the spectrometers and the spectra were analyzed to determine the composition of Martian rock and soil. Since landing, the ChemCam has identified hundreds of thousands of samples, including calcium, gypsum and bassanite. The incorporation of an instrument for Raman spectroscopy is being planned by NASA's Mars 2020 Rover Science Definition Team.
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Spectroscopists
In 2005 Bakker received the gold medal of the Royal Netherlands Chemical Society. Bakker was elected a member of the Royal Netherlands Academy of Arts and Sciences in 2015. The Academy called him "a renowned expert on the molecular properties of water and ice".
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Spectroscopists
Born in 1942, Orr grew up in Sydney and graduated with BSc (Hons I) and MSc from the University of Sydney. He received his PhD from the University of Bristol (UK) in 1968 and, after a postdoctoral period in Ottawa (Canada), returned to Sydney in 1969 to take up an academic position at the University of New South Wales. In 1988, he became Professor of Chemistry in the Faculty of Science at Macquarie University. Since 2003, Orr has been an Emeritus Professor, based in Macquarie University’s Department of Physics and Astronomy. His roles at Macquarie University have included service as Head of School/Department (1989–92/1999–2002), as Deputy Chair of the Academic Senate (1989–92), and as a member of the University Council (1999–2002). He is Founding Director (2007–2010) of MQ Photonics – a University Research Centre incorporating the former Special Research Centre for Lasers and Applications, of which he was Deputy Director (1988–2002) and then Director (2003–07). Orr has been an editor for the international journals Optics Express, JOSAB and Chemical Physics Letters. Many of the accomplishments of Brian Orr and his research students and colleagues have been summarized in the Optical Society's citation for his 2004 W. F. Meggers Award: "for advancing molecular spectroscopy by experiment and theory on infrared- and Raman-ultraviolet double resonance, coherent Raman spectroscopy, cavity ringdown spectroscopy, photoelectron spectroscopy, nonlinear optics, and tunable coherent light sources."
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Spectroscopists
Wolfgang Demtröder (b. 5 September 1931 in Attendorn) is a German physicist and spectroscopist. He is the author of several textbooks on laser spectroscopy and a series of four textbooks on experimental physics. His books entitled Laserspektroskopie and Laser Spectroscopy are considered classics in the field. From 1970 til 1999, he was ordinary professor at Kaiserslautern University of Technology. Awarded the Max Born Prize in 1994.
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Spectroscopists
Martin is a strong advocate for equal opportunity and addressing gender imbalance in academia. She published a letter in the prestigious journal Nature calling for scientific conference organisers to be more transparent with respect to their gender-balance policies and historical data and a paper describing how to achieve conference speaker gender balance. Martin also writes a blog which focuses on issues relating to women in academia. She was a Foundation member of the steering committee for Science in Australia Gender Equity ([https://sciencegenderequity.org.au/ SAGE]) which established the UK Athena SWAN charter in Australia to address the under-representation of women in science, particularly at senior positions in universities. As an opinion leader she has been invited to speak on gender equity worldwide, and across sectors. In 2017, she presented a keynote lecture on addressing conference gender equity at the Australia and New Zealand College of Anaesthetists Annual Scientific Meeting, and presented the Wunderly oration at the Thoracic Society Australia and New Zealand and Society of Respiratory Science Annual Scientific Meeting. In 2018 she gave the invited Inaugural Ruth Gall Memorial Lecture for the School of Chemistry at the University of Sydney on International Women's Day and the Chuwen Keynote Address at the 5th national meeting of the Australian Academy of Science EMCR Forum Science Pathways "Diversify your Thinking". Martin was the first chair of the [https://www.iucr.org/iucr/governance/advisory-committees/gedc International Union of Crystallography Gender Equity and Diversity Committee] (2018-2023). Martin is a passionate science communicator. She has participated in events such as BrisScience, which runs public lectures on science and technology; SCOM BOMB, a Google hangout operated by the Australian Science Communicators, Science Rewired and the Centre for the Public Awareness of Science as part of the No Funny Business science communication website; and the 2014 UNESCO International Year of Crystallography, including a radio interview and public lecture. In 2023, she gave the IUCr Plenary Public Lecture entitled "How I fell in love with crystallography and why you should too". She also writes articles for The Conversation, an independent, online source of news and views from the academic and research community. In 2019, she released a children's book “[https://www.thatsradscience.com/book-4-crystal-science-2/ My aunt is a protein crystal scientist. That’s Rad!]”.
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Computational Chemists
From 2001 to 2004, he was Junior Research Fellow at Christ Church (a college of the University of Oxford) and a Research Fellow of the Welcome Trust at the Center for Mathematical Biology in the University of Oxford. He was Assistant Professor of Informatics and Associate Director of the Biocomplexity Institute at Indiana University, Bloomington between 2004 and 2008. In 2008, he joined the University of Michigan as Associate Professor of Molecular & Integrative Physiology and a U-M Brehm Investigator in the Brehm Center for Diabetes Research. In 2013, he was jointly appointed as associate professor in the Department of Computational Medicine and Bioinformatics. He was promoted to professor in both departments in 2015, appointed as the John A. Jacquez Collegiate Professor of Physiology in 2016, and served as chair of the Department of Molecular & Integrative Physiology between 2017 and 2021. In 2021, he was appointed the William K. Warren Foundation Dean of the College of Science at the University of Notre Dame. Schnell is Past-President of the Society for Mathematical Biology. He served as the Editor-in-Chief of Mathematical Biosciences, and is a member of the Standards for Reporting Enzymology Data Commission.
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Computational Chemists
In 2005, he obtained Young Faculty Award and Scholarship from the Foundation for the Advancement of Outstanding Scholarship. In 2006, he became one of four awardees of the American Chemical Society Outstanding Junior Faculty Award, in 2010, he received the Distinguished Young Chemist Award from the Chinese Chemical Society, and in 2014, he was awarded the APATCC Pople Medal "for his innovative contributions to theoretical and mathematical aspects of quantum chemistry, particularly his contributions to multireference perturbation theory and the density-functional tight-binding method.".
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Computational Chemists
Lettsom retired from the diplomatic service in 1869. He never married. He died of acute bronchitis on 14 December 1887.
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Spectroscopists
Shaw was raised in Los Angeles, California. His father was a theoretical physicist who specialised in plasma and fluid flows, and his mother is an artist and educator. They divorced when he was 12. His stepfather, Irving Pfeffer, was professor of finance at University of California, Los Angeles, and the author of papers supporting the efficient market hypothesis. Shaw earned a bachelors degree summa cum laude' from the University of California, San Diego, a PhD from Stanford University in 1980, and then became an assistant professor of the department of computer science at Columbia University. While at Columbia, Shaw conducted research in massively parallel computing with the NON-VON supercomputer. This supercomputer was composed of processing elements in a tree structure meant to be used for fast relational database searches. Earlier in his career, he founded Stanford Systems Corporation.
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Computational Chemists
Hermann Hartmann has been a universal personality with highly developed intuition, admired as an excellent teacher and author of more than 250 scientific papers published in journals of physical and theoretical chemistry.
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Computational Chemists
David Parker Craig (23 December 1919 – 1 July 2015), an Australian chemist, was the Foundation Professor of Physical and Theoretical Chemistry and later Emeritus Professor in the Research School of Chemistry at the Australian National University in Canberra. Born in Sydney, Craig was educated at the University of Sydney, receiving a Bachelor of Science with Honours in 1940 and a Master of Science in 1941. He was awarded a Doctor of Philosophy degree from the University of London in 1949. He was a captain in the Second Australian Imperial Force from 1942 to 1944. Craig was a lecturer in physical chemistry, at the University of Sydney from 1944 to 1946, a Turner and Newall Research Fellow and Lecturer at University College, London from 1946 to 1952, Professor in physical chemistry at the University of Sydney from 1952 to 1956 and Professor in theoretical chemistry at University College, London from 1956 to 1967. He was a Fellow of the Royal Society, the Royal Society of New South Wales, the Australian Academy of Science, a former President of AAS, and a Member of the International Academy of Quantum Molecular Science. In 1985 he was appointed an Officer of the Order of Australia (AO) "in recognition of service to the community, particularly in the field of physical chemistry", and was a recipient of the Centenary Medal "for service to Australian society and science in theoretical chemistry".
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Computational Chemists
Andreas Albrecht had many achievements and belonged to many scientific societies. He also had several visiting professorships. In 1986 he was given the New York Academy of Science Polychrome Corporation Award in Photochemistry, in 1988 the Lippincott-Medal and in 1990 the Earle K. Plyler Prize from the American Physical Society. In 1992 he joined the American Academy of Arts and Sciences. A special issue of The Journal of Physical Chemistry A was dedicated to him after his death.
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Spectroscopists
Together with his thesis advisor, Albrecht developed New Inflation, solving the bubble collision problem of Alan Guth's original model of inflation. Later, Albrecht studied the observable effects of cosmic topological defects, contributing to ruling out cosmic strings as the dominant mechanism for structure formation. Along with João Magueijo, Albrecht independently proposed a model of varying speed of light cosmology which posits that the speed of light in the early universe was a trillion times faster in order to explain the horizon problem of cosmology. In the 21st century, Albrecht worked on quantum mechanics, as well as probability and quantum theory.
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Spectroscopists
Lin and her lab use computational chemistry to provide information on the solution structures of cyclic peptides. They recently successfully used molecular dynamics simulation with enhanced sampling methods to design well-structured cyclic peptides.
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Computational Chemists
Decatur is married to Renee Romano, professor of history and Comparative American studies at Oberlin College. They have two children, Sabine and Owen.
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Computational Chemists
Hammes-Schiffer studies the effects of quantum tunnelling and hydrogen bonding on enzymatic reactions. Her work on Soybean Lipoxygenase-1 changed common perception of a previously proposed tunneling region diagram, finding that the temperature dependence of KIEs are inversely proportional to each other and that active environmental dynamics leads to less of the KIE and promotes catalysis. This finding should be applicable to any other enzymes which can transfer a proton due to the fact that there aren't as many enzymatic options for non-ionic transfer of a proton and therefore tunneling must be used throughout the process.
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Computational Chemists
Compton was one of a handful of scientists and philosophers to propose a two-stage model of free will. Others include William James, Henri Poincaré, Karl Popper, Henry Margenau, and Daniel Dennett. In 1931, Compton championed the idea of human freedom based on quantum indeterminacy, and invented the notion of amplification of microscopic quantum events to bring chance into the macroscopic world. In his somewhat bizarre mechanism, he imagined sticks of dynamite attached to his amplifier, anticipating the Schrödinger's cat paradox, which was published in 1935. Reacting to criticisms that his ideas made chance the direct cause of peoples actions, Compton clarified the two-stage nature of his idea in an Atlantic Monthly' article in 1955. First there is a range of random possible events, then one adds a determining factor in the act of choice.
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Spectroscopists
In 1959, Prokhorov became a professor at Moscow State University – the most prestigious university in the Soviet Union; the same year, he was awarded the Lenin Prize. In 1960, he became a member of the Russian Academy of Sciences and elected Academician in 1966. In 1967, he was awarded his first Order of Lenin (he received five of them during life, in 1967, 1969, 1975, 1981 and 1986). In 1968, he became vice-director of the Lebedev Institute and in 1971 took the position of Head of Laboratory of another prestigious Soviet institution, the Moscow Institute of Physics and Technology. In the same year, he was elected a member of the American Academy of Arts and Sciences. In 1983 he was elected a Member of the German Academy of Sciences Leopoldina. Between 1982 and 1998, Prokhorov served as acting director of the General Physics Institute of the Russian Academy of Sciences, and after 1998 as honorary director. After his death in 2002, the institute was renamed the of the Russian Academy of Sciences. Prokhorov was a Member and one of the Honorary Presidents of the International Academy of Science, Munich and supported 1993 the foundation and development of the Russian Section of International Academy of Science, Moscow. In 1969, Prokhorov became a Hero of Socialist Labour, the highest degree of distinction in the Soviet Union for achievements in national economy and culture. He received the second such award in 1986. Starting in 1969, he was the chief editor of the Great Soviet Encyclopedia. He was awarded the Frederic Ives Medal, the highest distinction of the Optical Society of America (OSA), in 2000 and became an Honorary OSA Member in 2001. The same year, he was awarded the Demidov Prize. He died on 8 January 2002 at Moscow and was buried at Novodevichy Cemetery.
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Spectroscopists
After completing his PhD, Zewail did postdoctoral research at the University of California, Berkeley, supervised by Charles B. Harris. Following this, he was awarded a faculty appointment at the California Institute of Technology in 1976, and eventually became the first Linus Pauling Chair in Chemical Physics there. He became a naturalized citizen of the United States on March 5, 1982. Zewail was the director of the Physical Biology Center for Ultrafast Science and Technology at the California Institute of Technology. Zewail was nominated and participated in President Barack Obamas Presidential Council of Advisors on Science and Technology (PCAST), an advisory group of the nations leading scientists and engineers to advise the President and Vice President and formulate policy in the areas of science, technology, and innovation.
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Spectroscopists
Stereopsis was first described by Wheatstone in 1838. In 1840 he was awarded the Royal Medal of the Royal Society for his explanation of binocular vision, a research which led him to make stereoscopic drawings and construct the stereoscope. He showed that our impression of solidity is gained by the combination in the mind of two separate pictures of an object taken by both of our eyes from different points of view. Thus, in the stereoscope, an arrangement of lenses or mirrors, two photographs of the same object taken from different points are so combined as to make the object stand out with a solid aspect. Sir David Brewster improved the stereoscope by dispensing with the mirrors, and bringing it into its existing form with lenses. The pseudoscope (Wheatstone coined the term from the Greek ψευδίς σκοπειν) was introduced in 1852, and is in some sort the reverse of the stereoscope, since it causes a solid object to seem hollow, and a nearer one to be farther off; thus, a bust appears to be a mask, and a tree growing outside of a window looks as if it were growing inside the room. Its purpose was to test his theory of stereo vision and for investigations into what would now be called experimental psychology.
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Spectroscopists
Klein has advanced the field of computer simulation and modelling of molecular systems over a broad front. His early works focused on developing pragmatic intermolecular force fields to be used in computer simulation Monte Carlo and molecular dynamics (MD) simulations of molecular systems, such as water and aqueous solutions. During the 1980s and early 1990s, his group developed and elaborated algorithms and methodologies to enable the efficient and rigorous computer simulation of macromolecular systems. These seminal works have been influential and are very highly cited because of their broad utility. Every modern MD simulation code employs these algorithms in one form or other. Thus, modern molecular simulation studies of chemical systems ranging from surfactants to proteins and from lipid membranes to energy materials - including solid electrolyte fuel cells, and so-called “green” ionic liquids - take advantage of these algorithms. His pioneering simulation studies of surfactants, lipid membranes, and membrane-bound ion channels are noteworthy.
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Computational Chemists
Clark began teaching at University College London in 1962 as an assistant lecturer. He was appointed Sir William Ramsay Professor in 1989, and served until retirement in 2009. He served as the dean of science from 1988 to 1989 and later as head of the chemistry department from 1989 to 1999. Clark died in London on 6 December 2018.
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Spectroscopists
Dayhoff was born an only child in Philadelphia, but moved to New York City when she was ten. Her academic promise was evident from the outset – she was valedictorian (class of 1942) at Bayside High School, Bayside, New York, and from there received a scholarship to Washington Square College of New York University, graduating magna cum laude in mathematics in 1945 and getting elected to Phi Beta Kappa.
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Computational Chemists
Scoles was born in Italy and raised there through the Second World War. A few years after the war he moved, with his family, to Spain, where Scoles spent his adolescence. He returned to Italy and graduated the University of Genoa in 1959 with a degree in Chemistry. His publication record started with “Vapour Pressure of Isotopic Liquids I” published 1959 in Il Nuovo Cimento. Starting his interdisciplinary research between chemistry and physics, in 1960 he was appointed Assistant Professorship in the Physics Department of the University of Genoa where he taught a lab course and conducted experiments on isotope separation during physical adsorption (physisorption). In 1961, he changed research area and joined Jan Beenakker’s group at the Kamerlingh-Onnes Laboratorium of Leiden University in the Netherlands. There he co-authored one of the first papers on what became soon known as the Senftleben-Beenakker effect: the influence of an external magnetic or electric field on the transport properties of dilute polyatomic gases. The idea behind this effect is that every polyatomic molecule – even a simple paramagnetic one like N – has a magnetic moment, due to its end-over-end rotation, which can be used as a handle to make it precess in an external magnetic field. If the precession frequency is sufficiently large compared to the collision frequency, the average kinetic cross section will change, and so will the transport properties. Likewise, for polar molecules one may employ electric fields to achieve the desired precession. This field has yielded a wealth of information on the non-spherical part (i.e. the angle dependence) of the intermolecular potential. In addition, several new phenomena were later discovered that had been believed to be non-existing in neutral gases, like transverse transport effects in a magnetic field, comparable to the Hall effect in electrical conduction. In 1964, Scoles returned to the University of Genoa as Assistant Professor of Physics. In Genoa he stayed until 1971 and in those years established a renowned molecular beams laboratory devoted to the investigation of intermolecular forces in gases. Most significant was the development of the cryogenic bolometer to detect molecular beams. Bolometers detect tiny heat input (with noise on the order of 10 watts per square root hertz) and had previously been developed as detectors of Infrared Radiation but here they are used to measure the internal and translational energy of a beam of atoms or molecules. The test apparatus set up together with M. Cavallini and G. Gallinaro offered great advantages with respect to conventional techniques used at that time and reduced the cost of building beam machines. Scoles and his colleagues published a series of key papers which include the determination of the energy dependence of the integral collision cross section of He scattered by He, the observation of “Rainbow Scattering“ between two crossed beams of Argon, the first measurement of orbiting resonances in the scattering between two atoms (Hg and H). In 1971, Scoles moved to the University of Waterloo, Canada as Professor of Chemistry and Physics. There, he set up the first successful crossed molecular beam laboratory in Canada. He help establish the Waterloo Centre for Molecular Beams and Laser Chemistry, the Centre for Surface Science in Technology, as well as the weekly chemical physics seminars and annual Symposium on Chemical Physics, both of which continue to this day. He was the initial (Acting) Director of the Guelph-Waterloo Centre for Graduate Work in Chemistry, the first true inter-university graduate program in Canada. Scoles performed crossed beam differential scattering cross-section studies of atom-atom, atom-molecule and molecule-molecule interactions, using his bolometer detector. He also began using helium atom diffraction to study the structure of surfaces, both of pure crystals which often undergo change from the bulk structure (reconstruction) and also the structure of overlayers of atoms and molecules absorbed on surfaces. With Terry Gough and then graduate student Roger Miller, Scoles introduced the technique of bolometer-detected optothermal spectroscopy of molecular beams where vibrational excitation of a beam of molecules is detected by the bolometer. They used this technique to studies vibrational dissociation of a complex of two or more molecules held together by Van der Waals forces. By the early 1980s, Scoles began the first studies of the spectroscopy of molecules adsorbed in or on clusters of rare gas atoms. In the mid-to-late 1970s Scoles spent part of his time at the University of Trento, Italy where he established a new molecular beam laboratory. The activity of the Trento lab was mainly focused on opto-thermal spectroscopy and atomic hydrogen scattering experiments. Scoles moved to Princeton University in 1986. One of the experiments that Scoles brought to Princeton was the study of IR spectroscopy of molecules attached to inert gas clusters, particularly Ar and Xe clusters. In this work, he developed the now widely used “pickup technique” and set the stage for his later pioneering work on superfluid helium nanodroplets, for which he recently shared the Benjamin Franklin Award in Physics. The helium experiments, started with students S. Goyal and D. Schutt, provided the first molecular spectra of solutes in liquid helium, a unique superfluid solvent. Frank Stienkemeier joined the group as a postdoc and together with graduate students John Higgins and Carlo Callegari (and sabbatical visitor Wolfgang Ernst) established the “Alkali age” of the group which provided a rich vein to explore chemical dynamics in this fascinating state of matter. Graduate student James Reho brought time resolved spectroscopy techniques into the mix. Erik Kerstel did a thesis on subdoppler spectroscopy of hydrogen bonded complexes, including the first such spectra in the vibrational overtone region. Brooks Pate brought Scoles and Kevin K. Lehmann together for what proved to be a long series of experiments (and many Ph.D. theses) that characterized Intramolecular Vibrational energy Redistribution. They first studied the hydrogen stretching fundamental and first overtone spectral regions and observed Lorentzian lineshapes due to irreversible relaxation for large molecules with a very high density of states. They developed IR-microwave and later IR-IR double resonance methods to provide unambiguous quantum assignments of even highly congested spectra and to reach higher in energy. The work by Andrea Callegari on benzene, long a model system for such studies is noted among many such studies. After this work, Carlo Callegari converted the apparatus into a helium droplet machine, which was used for the first study of overtone vibrational transitions in helium nanodroplets. Also, the pure rotational spectra of HCCCN and HCN in helium were observed. This established that a single droplet could absorb several thousand photons without "optically pumping" out of resonance. Scoles was instrumental in the establishment of the Princeton Materials Institute and became a close collaborator of Peter Eisenberger, its first director. Scoles also brought to Princeton his Helium Diffraction Spectrometer for the study of surface structure. His focus turned from inorganic overlayers to the study of self-assembled monolayers, particularly alkane thiols on Au(111). Scoles collaborated with Eisenberger in using X-Rays as a complementary surface structure tool and showed the power of the combination of the two methods. Scoles developed expertise in atomic force microscopy (AFM) to study surface structure and more recently, tip induced surface modification using the nanografting technique [16,17] which had been previously developed by his former student Gang Yu Liu. In collaboration with Steve Bernasek, Scoles has also studied the influence of vibrational excitation (again for the first time in the first C-H overtone region) on the sticking probability of a molecule (methane) on a metal surface. Starting in 2003, Scoles returned part-time to Italy, taking appointments at the Trieste Synchrotron Elettra and the International School for Advanced Studies (SISSA), In SISSA he joined the Condensed Matter group where he began collaborating on theoretical problems dealing with helium nanodroplets and with physisorption. At the same time, he started an experimental group in Elettra, focusing on nanoscience, with particular attention to self-assembled monolayers and their properties [19,20]. Later, Scoles expanded his research into nanoscale biological processes, biophysics, and nanomedicine, in connection with the local Consortium of Molecular Biomedicine.
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Spectroscopists
as group member: *Darkroom, Carpetworld EP (3rd Stone Ltd., 1998) *Darkroom, Daylight (3rd Stone Ltd., 1998) *Tim Bowness/Samuel Smiles, World Of Bright Futures (Hidden Art, 1999) *Darkroom, Seethrough (peoplesound.com, 1999 - re-issued on Burning Shed, 2003) *Tim Bowness/Samuel Smiles, How We Used To Live (Hidden Art, 2000) *Tim Bowness/Samuel Smiles, Live Archive One (Hidden Art, 2001) *Tim Bowness/Samuel Smiles, Live Archive Two (Hidden Art, 2001) *Darkroom, Fallout One (Burning Shed, 2001) *Darkroom, Fallout Two (Burning Shed, 2001) *Darkroom, Fallout Three (Burning Shed, 2002) *Darkroom, Freefall (Burning Shed, 2002) *Darkroom, The DAC Mixes (Burning Shed, 2002) *Pedaltone, Pedaltone (Burning Shed, 2006) *Ghost of Wood & Michael Bearpark, Ursa (Curated Doom, 2018) as guest musician: *Richard Barbieri/Tim Bowness, Flame (One Little Indian, 1994) *Faultline, Faultline EP (Fused & Bruised, 1998) *Faultline, Mute EP (Leaf, 1998) *Faultline, Closer, Colder (Leaf, 1999) *No-Man, Together We're Stranger (KScope/Snapper Music, 2003) *No-Man, Wherever There Is Light EP (KScope/Snapper Music, 2009) *No-Man, Mixtaped live DVD (KScope/Snapper Music, 2010)
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Computational Chemists
Richard G. Hiskey (May 21, 1929 – July 28, 2016) was an American chemist and Alumni Distinguished Professor of Chemistry at University of North Carolina at Chapel Hill. Hiskey joined the department of chemistry of the University of North Carolina at Chapel Hill in 1958. He served in various capacities within the university, including director of graduate studies (1965-1970) and chairman of the department (1970-1975), (elected) chairman of the division of natural sciences from 1975 to 1981, and faculty representative to the Atlantic Coast Conference and National Association of Intercollegiate Athletics (1985-1995).
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Computational Chemists
*The Carlos Jaschek Award was created in his honor in 2006 by the Société Européenne pour l Astronomie dans la culture' (European Society for Astronomy in Culture). * The minor planet (2964) Jaschek was named after him. It was discovered July 16, 1974, at the Carlos U. Cesco Observatory at El Leoncito. *Received the 1955 John Simon Guggenheim Memorial Foundation fellowship. [https://www.gf.org/fellows/all-fellows/carlos-oton-rudiger-jaschek/ "Carlos Oton Rüdiger Jaschek".] Astronomy and Astrophysics; Latin America & Caribbean competition. *Member of the National Center for Scientific Research in France *Member of the National Academy of Sciences of Argentina. *Member of the Royal Argentine Astronomical Society *Member of the Astronomische Gesellschaft, the German Astronomical Society. *Member of the International Astronomical Union (IAU) Organizing Committee of Commission 33 Structure & Dynamics of the Galactic System from 1964 to 1967. Member of the Organizing Committee of Commission 45 Stellar Classification from 1967 to 1970, Jaschek became Vice-President from 1970 to 1973, was President from 1973 to 1976, and was on the Organizing Committee from 1976 to 1979. He was on the Organizing Committee of Commission 29 Stellar Spectra from 1973 to 1985, and on the Organizing Committee of Commission 5 Documentation and Astronomical Data from 1982 to 1991.
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Spectroscopists
Bakker was born on 2 March 1965 in Haarlem. He studied physical chemistry at the Vrije Universiteit Amsterdam, and obtained his master's degree in 1987. He subsequently became a PhD student under Ad Lagendijk at the AMOLF research institute. Bakker received his doctorate cum laude in 1991 with a thesis titled:"Time-resolved vibrational spectroscopy with picosecond infrared pulses". Between 1991 and 1994 he was a scientific assistant at the Institute of Semiconductor Technologies of RWTH Aachen University in Germany. In 1995 Bakker returned to the Netherlands to become scientific group leader at AMOLF. Six years later he started as professor of Ultrafast Spectroscopy of Molecules in the Condensed Phase at the University of Amsterdam. At AMOLF Bakker is group leader of research on ultrafast spectroscopy. In 2003 he became head of the department of molecular nanophysics. In his research at AMOLF Bakker has been founder of a technique which uses special non-linear spectroscopics, which helps researchers in determining the molecular mobility and structure of water in complex systems. Bakker became adjunct director of AMOLF on 1 September 2015. On 1 February 2016 he succeeded Vinod Subramaniam as director, who became rector-magnificus of the Vrije Universiteit Amsterdam.
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Spectroscopists
Starting in 1925, Duane began suffering a continual decline in health brought on by diabetes. He died on March 7, 1935, due to a second paralytic stroke. He was interred at Laurel Hill Cemetery in Philadelphia, Pennsylvania.
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Spectroscopists
*HOPFIELD *Manufacture of multiple glass sheet glazing units *Uniting of glass to glass and metals to glass *Multiple glass sheet glazing unit and method of making the same *Multiply glass sheet glazing unit *Method of fabricating multiple glass sheet glazing units
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Spectroscopists
Lord was awarded the President's Certificate of Merit in 1948 by Harry S. Truman in recognition of his work during WWII. From 1957 to 1961, he served as a member and president of the Commission of Molecular Spectroscopy of the International Union of Pure and Applied Chemistry (IUPAC), and during 1964 was president of the Optical Society of America. In 1966, he received the Award in Spectroscopy from the Pittsburgh Spectroscopy Society, and in 1967, he was made an honorary member of the Society of Applied Spectroscopy. In 1976, he was awarded the Lippincott Medal by the IUPAC. Lord served as a consultant to the Central Research Department of DuPont between 1948 and 1980, and as editor in the field of optics for the McGraw-Hill Encyclopedia of Science & Technology. He was a fellow of the American Academy of Arts and Sciences. He died on April 29, 1989.
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Spectroscopists
The Info Mesa: Science, Business, and New Age Alchemy on the Santa Fe Plateau by Ed Regis (author) was published in 2003, featuring Weininger and other leaders of informatics in the Santa Fe area.
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Computational Chemists
* The Protein Folding Problem and Tertiary Structure Prediction K. M. Merz, Jr.; S. M. LeGrand Eds.; Birkhaüser: Boston, MA, 1994. * Structure, Function and Dynamics of Lipid Bilayers K. M. Merz, Jr.; B. Roux Eds.; Birkhaüser: Boston, MA, 1996. * Structure-Based Drug Design D. Ringe; C. R. Reynolds; K. M. Merz, Jr., Eds.; Cambridge University Press: Boston, MA, 2010
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Computational Chemists
Martin grew up in a large family of nine children in Dandenong, Victoria. She currently resides in Wollongong with her husband Michael.
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Computational Chemists
In 1957, he met Carolyn North Cooper at a church in Manhattan during a midnight mass, despite both being Jewish. He and Carolyn had three children together. He enjoyed cycling, and commuted to and from campus each day via bicycle. Strauss died on December 2, 2014, at his home in Berkeley, California, at the age of 78.
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Spectroscopists
Albrecht is most well known for his work on the theory of resonance Raman scattering intensities. He developed two of the main methods for analyzing Raman enhancement patterns. The first of these is the sum-over-states method, developed in the 1960s. After the development of the competing time-dependent wavepacket method by Lee and Heller, Albrecht's group developed the transform theory of resonance Raman enhancement. Other notable research developments by his group research include thermal lensing spectroscopy, and the concept of local molecular vibrational modes.
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Spectroscopists
Ahmed Hassan Zewail (February 26, 1946 – August 2, 2016) was an Egyptian and American chemist, known as the "father of femtochemistry". He was awarded the 1999 Nobel Prize in Chemistry for his work on femtochemistry and became the first Egyptian and Arab to win a Nobel Prize in a scientific field, and the second African to win a Nobel Prize in Chemistry. He was the Linus Pauling Chair Professor of Chemistry, a professor of physics, and the director of the Physical Biology Center for Ultrafast Science and Technology at the California Institute of Technology.
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Spectroscopists
Ecker's research focuses on computational drug design which not only led to the identification of highly active propafenone-type inhibitors of P-glycoprotein, but also paved the way for development of new descriptors and virtual screening approaches for identification of new scaffolds active at P-gp. With the increasing knowledge on the importance of P-gp for ADME, his interest moved towards the prediction of P-gp substrate properties. Around 2010 he extended the studies also on other antitargets, such as the hERG potassium channel, as well as on the serotonin transporter, the GABA receptor and the insulin receptor.
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Computational Chemists
After working as a postdoc at the University of Manitoba, Bancroft returned to Cambridge as a Fellow at Christ's College. Bancroft returned to Canada in 1970, as an assistant professor in the department of chemistry at the University of Western Ontario (UWO), becoming a professor in 1974, spending two periods as head of department. Bancroft was director of the Centre for Chemical Physics from 1977 to 1981, establishing Surface Science Western during his tenure. At UWO Bancroft became interested in photoemission spectroscopy, and in 1972, with National Research Council (NRC) support, a spectrometer was purchased for research using far ultraviolet and X-ray photons. This purchase also involved the universities of Toronto and Windsor in a Southwestern Ontario consortium.
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Spectroscopists
In 1929 Alex passed the Leaving Certificate with honours in Mathematics and Chemistry. An exhibition took him to the University of Sydney, where he enrolled in science. He was drawn to this area due to chemical experiments he undertook while at school. The last sentence revealing the hallmark of his life – self-reliance. During his university years, Alex underwent extracurricular activity and set a possible record in ecumenism through his simultaneous membership of: the Student Christian Movement (he had been a Sunday school teacher at Willoughby Presbyterian church), of Professor John Andersons notoriously subversive Freethought Society, and the Sydney University Regiment (Corporal 1931). He became a highly qualified Boy Scout leader. He spoke at the Sydney University Unions parliamentary-style Union Night debates and engaged in hockey and wrestling. Alex recorded in his notebooks with carefully marshalled tables of the books he had read and his opinions of them. In his first university year, he records reading, wholly or in part, about a hundred books. Representative entries from that year include Better Ballroom Dancing by Scott (75% read) with a note Correction of mistakes etc.; Goodbye to All That by Robert Graves (all read) Good realistic. No censoring of language; Handbook of Photography by Sinclair (most read) Pretty good but a bit old-fashioned; Religion and Science by Draper (all read) V. readable; English Regal Copper Coins, by Bamah (most read); Coins 16721860. No pics. may be good for reference; La Vie des Abeilles by Maeterlinck (2/3 read) V.g. Hard French. Interesting and novel; Communist Manifesto by Marx and Engels (all read) Quite fair. Rather old but still interesting. Alex continued, with unabated assiduity and eclecticism, right through to the end of his fourth year – 400 titles, all similarly noted. He graduated with honours in the year 1933. While this account must shortly take up his business career, it will be convenient here to carry on with one of his subsequent extra-professional interests – the theatre. He joined The Playmakers and in 1934 made his debut in Crime Made Legal. Advance publicity noted that Alex Boden is a newcomer to the Society and is making his first appearance in the important part of Inspector Burke. His fine speaking voice and confident bearing are sure to find favour. It must be assumed that they did, for he made at least a dozen subsequent appearances, mostly with Sydneys oldest repertory company, The Sydney Players. His notices were generally flattering, as in A Midsummer Nights Dream: As Theseus, Alex Boden was easily the most competent of last nights performers. He alone gave real dignity to his lines.' After 1936, however, the store of programmes and press clippings stops. Life had acquired other dimensions. He wrote in his notebook: Aged twenty-four and watching now the last grains of 1937 run through our fingers. A book [his Handbook of Chemistry] was born in January. Perhaps it will be worthy of rebirth. Almost a beginning on another. Finances are dull but they have been smoothed sufficiently to give a little takeoff for 1938. Sentiments not entirely controlled and showing no practical advance.
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Computational Chemists