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A religious man, Barkla was a Methodist and considered his work to be "part of the quest for God, the Creator".
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* Fellow of the Institution of Chemical Engineers (2015) * Bessel Research Award of the German Alexander von Humboldt Foundation (2006) * Fellow of the American Association for the Advancement of Science (2012) * Fellow of the Royal Australian Chemical Institute (1998) * Le Fevre Memorial Prize of the Australian Academy of Science (1998) * Rennie Memorial Medal of the Royal Australian Chemical Institute (1994)
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Computational Chemists
Arthur John Ahearn (20 June 1902 – 12 June 1990) was an American physicist and mass spectrometry researcher.
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Spectroscopists
Between 2000 and 2007, Besley had postdoctoral research appointments at the University of Nottingham, the University of Sussex, and the University of Cambridge. In 2007 Besley was awarded a Royal Society Relocation Fellowship at the University of Nottingham and a Visiting Academic Research Fellowship at the Australian National University, Canberra. At the University of Nottingham, Besley was appointed to Lecturer in Theoretical and Computational Chemistry in 2011, followed by promotion to Associate Professor in 2014, and to Professor of Theoretical and Computational Chemistry in 2015. Besley is featured in an expert database for Outstanding Female Scientists and Scholars “AcademiaNet: Profiles of Leading Women Scientists”. Her research includes the development of theoretical and computational methods for the prediction of materials properties; computational modelling of the behaviour, properties and manipulation of nanomaterials; investigations into the electrostatic interactions and self-assembly of materials; gas storage and interactions in porous solids. She has investigated how the electron beams of transmission electron microscopes interact with materials.
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Computational Chemists
Amiram Goldblum was born in Rosh Pinna in 1945. He is the son of Professor Natan Goldblum, a senior officer in the Medical Corps of the IDF until 1956 and an Israel Prize recipient (1988) for his lifetime efforts to eradicate viral diseases in Israel, in particular, polimyellitis a. The family was evacuated to Haifa during the 1948 Arab–Israeli War. Goldblum's mother Tamar (née Toren) was a member of the Irgun and had been in the Beitar youth movement, being instructed by Eliyahu Meridor (father of Israeli politician and Minister Dan Meridor). Goldblum studied chemistry and physics at the Hebrew University of Jerusalem, as a student of Ernst David Bergmann and of Raphael Mechoulam, and continued postdoc studies in Paris with Bernard Pullman and Alberte Pullman and with Corwin Hansch in Pomona College (California). During the years 1970-1979 he served as a news announcer in Kol Yisrael and as an anchor of classical and jazz music programs on the Israeli Radio. Goldblum joined the Hebrew University in 1979 and became associate professor of Medicinal Chemistry in 1989 and full professor in 2010 and retired in 2015, becoming Professor Emeritus. Goldblum is a member of the Supreme Academic Council of the Jerusalem Academy of Music and Dance and member of the Supreme Academic Council of the AlQasemi Academy in Baka El Gharbieh Goldblum was married to Israela Weinstein from 1967 until her death in 2006. Goldblum is married to Idit Amihai, head of Museums and Public Galleries departments of Israel's Ministry of Culture and Sports. Goldblums son, Dan Goldblum, who served in the Israeli Commando Unit, Sayeret Matkal, was badly wounded in the commandos preparative operation (Operation Bramble Bush) to kill Saddam Hussein, on 5 November 1992. Goldblum's daughter Maya served in Sayeret Matkal following her brother. Goldblum fought in the Yom Kippur war, October 1973, as part of battalion 86 which was attached to armoured Division 460. Goldblum fought with his unit over the Suez Canal, where his unit was fighting inside the Egyptian city of Suez toward the end of the war Battle of Suez. The story of some of Goldblum's actions during that war was published in 2014.
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Computational Chemists
J. Y. Lee, et al. W. Y. Kim and K. S. Kim K. S. Kim, Y. Zhao, H. Jang, S. Y. Lee, J. M. Kim, K. S. Kim, J.-H. Ahn, P. Kim, J.-Y. Choi and B. H. Hong Y. Chun, N. J. Singh, I.-C. Hwang, J. W. Lee, S. U. Yu, and K. S. Kim J. N. Tiwari, K. Nath, S. Kumar, R. N. Tiwari, K.C. Kemp, N. H. Le, D. H. Youn, J. S. Lee, K. S. Kim K. S. Kim, P. Tarakeshwar, J. Y. Lee V. Georgakilas, M. Otyepka, A. B. Bourlinos, V. Chandra, N. Kim, K. C. Kemp, P. Hobza, R. Zboril, and K. S. Kim J. Yoon, S. K. Kim, N. J. Singh and K. S. Kim A. C. Rajan, M. R. Rezapour, J. Yun, Y. Cho, W. J. Cho, S. K. Min, G. Lee, and K. S. Kim B. H. Hong, J. Y. Lee, C.-W. Lee, J. C. Kim, S. C. Bae, and K. S. Kim
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Computational Chemists
Zare has published several books, including a widely used textbook on the topic of angular momentum in quantum systems that is considered a classic for its explanations of angular momentum algebra and the fundamentals of molecular spectroscopy. He is an author or co-author of more than 1,000 peer-reviewed papers.
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Spectroscopists
In 1967, Kroto began teaching and research at the University of Sussex in England. During his time at Sussex from 1967 to 1985, he carried out research mainly focused on the spectroscopic studies of new and novel unstable and semi-stable species. This work resulted in the birth of the various fields of new chemistry involving carbon multiply bonded to second and third row elements e.g. S, Se and P. A particularly important breakthrough (with Sussex colleague John Nixon) was the creation of several new phosphorus species detected by microwave spectroscopy. This work resulted in the birth of the field(s) of phosphaalkene and phosphaalkyne chemistry. These species contain carbon double and triple bonded to phosphorus (C=P and C≡P) such as cyanophosphaethyne. In 1975, he became a full professor of Chemistry. This coincided with laboratory microwave measurements with Sussex colleague David Walton on long linear carbon chain molecules, leading to radio astronomy observations with Canadian astronomers surprisingly revealing that these unusual carbonaceous species exist in relatively large abundances in interstellar space as well as the outer atmospheres of certain stars – the carbon-rich red giants.
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He is currently the Editor-in-Chief (EiC) for Current Physical Chemistry. He has also been guest editor for three special issues of Theoretical Chemistry Accounts, the P.J. Stephens Honorary Issue, volume 119, numbers 1–3, the January 2008 issue, with Dr. Gerard M. Jensen, Gilead Sciences, Inc., the Suhai Festschrift Honorary Issue, volume 125, numbers 3–6, the March 2010 issue, and the Akira Imamura Hononary Issue, volume 130, numbers 4–6, the December 2011 issue. He was guest editor with Dr. Gerard M. Jensen, Gilead Sciences, Inc. for the two issue Quantum Nanobiology and Biophysical Chemistry series in Current Physical Chemistry (CPC) that appeared as the January and April in 2013 in volume 3, issues 1 and 2 . The January 2013 and April 2013 issues have been made available online. The Imamura Festschrift Issue articles have appeared online and can be accessed at the Theoretical Chemistry Accounts (TCA) website, along with all other articles in TCA, including articles discussing the triple helix and biospectroscopy papers
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Computational Chemists
Nicolaas Bloembergen (March 11, 1920 – September 5, 2017) was a Dutch-American physicist and Nobel laureate, recognized for his work in developing driving principles behind nonlinear optics for laser spectroscopy. During his career, he was a professor at Harvard University and later at the University of Arizona and at Leiden University in 1973 (as Lorentz Professor). Bloembergen shared the 1981 Nobel Prize in Physics along with Arthur Schawlow and Kai Siegbahn because their work "has had a profound effect on our present knowledge of the constitution of matter" through the use of laser spectroscopy. In particular, Bloembergen was singled out because he "founded a new field of science we now call non-linear optics" by mixing "two or more beams of laser light... in order to produce laser light of a different wave length" and thus significantly broaden the laser spectroscopy frequency band.
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Spectroscopists
José Elguero Bertolini (born 1934) is a Spanish chemist best known for his contributions to heterocyclic chemistry. He is Honorary Research Professor at the Medicinal Chemistry Institute of the Spanish Council for Scientific Research (CSIC).
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Computational Chemists
The Atomic Energy Act of 1946 that created the Atomic Energy Commission provided for a nine-man General Advisory Committee (GAC) to advise the commission on scientific and technical matters. Rabi was one of those appointed in December 1946. The GAC was enormously influential throughout the late 1940s, but in 1950 the GAC unanimously opposed the development of the hydrogen bomb. Rabi went further than most of the other members, and joined Fermi in opposing the hydrogen bomb on moral as well as technical grounds. However, President Harry S. Truman overrode the GAC's advice, and ordered development to proceed. Rabi later said: Oppenheimer was not reappointed to the GAC when his term expired in 1952, and Rabi succeeded him as chairman, serving until 1956. Rabi later testified on Oppenheimers behalf at the Atomic Energy Commissions controversial security hearing in 1954 that led to Oppenheimer being stripped of his security clearance. Many witnesses supported Oppenheimer, but none more forcefully than Rabi: Rabi was appointed a member of the Science Advisory Committee (SAC) of the Office of Defense Mobilization in 1952, serving as its chairman from 1956 to 1957. This coincided with the Sputnik crisis. President Dwight Eisenhower met with the SAC on October 15, 1957, to seek advice on possible US responses to the Soviet satellite success. Rabi, who knew Eisenhower from the latters time as president of Columbia, was the first to speak, and put forward a series of proposals, one of which was to strengthen the committee so it could provide the President with timely advice. This was done, and the SAC became the Presidents Science Advisory Committee a few weeks later. He also became Eisenhower's Science Advisor. In 1956 Rabi attended the Project Nobska anti-submarine warfare conference, where discussion ranged from oceanography to nuclear weapons. He served as the US Representative to the NATO Science Committee at the time that the term "software engineering" was coined. While serving in that capacity, he bemoaned the fact that many large software projects were delayed. This prompted discussions that led to the formation of a study group that organized the first conference on software engineering.
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Spectroscopists
Carl David Tolmé Runge (; 30 August 1856 – 3 January 1927) was a German mathematician, physicist, and spectroscopist. He was co-developer and co-eponym of the Runge–Kutta method ( ), in the field of what is today known as numerical analysis.
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Spectroscopists
*http://rredc.nrel.gov/solar/spectra/am0/special.html#Thekaekara *http://rredc.nrel.gov/solar/spectra/am0/text/Thekaekara.txt
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Spectroscopists
Schnell's research program departs from the premise that there is a continuum between health and disease; if we are capable of measuring this continuum, we will be in the position of detecting disease earlier and understanding it better to intervene more precisely. His research focuses on two broad areas: (i) the development of standard-methods to obtain high quality measurements in the biomedical sciences and scientometrics, and (ii) the development of mathematical models of complex biomedical systems with the goal of identifying the key mechanisms underlying the behavior of the system as a whole. Schnell has also focused his research attention on deriving mathematical expressions to estimate enzyme kinetics parameters under different reaction conditions. He has systematically obtained equations to estimate kinetic parameters for the family of Michaelis-Menten reaction mechanisms and determined their region of validity for the initial enzyme and substrate concentrations. Schnell derived a generic expression, known nowadays as the Schnell-Mendoza equation, to determine the Michaelis constant and maximum velocity for enzyme catalyzed reactions following Michaelis-Menten kinetics using time course data. He has also systematically investigated for the first time how the rate laws describing intracellular reactions vary as a function of the physico-chemical conditions of the intracellular environments. His work has focused to resolve the ambiguities in the quantitative analysis and modeling of reactions inside cells. In addition, Schnell has also extensive experience in developing multiscale models of developmental processes and cancer. His work has been highlighted in popular science magazines, such as American Scientist (USA), Investigación y Ciencia (Spain and Latin-America), Spektrum der Wissenschaft (Germany).
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Computational Chemists
William Charles Price was born on 1 April 1909. He went to the Bishop Gore School in Swansea, where his contemporaries included the young poet Dylan Thomas, whose father taught English at the school. He failed to get a state scholarship to Oxford in 1927. He gained a BSc in Physics from Swansea University in 1930. Price then spent three years as a Fellow at Johns Hopkins University in Baltimore, Maryland, USA. He was appointed to the University of Cambridge on a 1851 Research Fellowship in 1935, at the universitys Physical Chemical Laboratory - working with Martin Lowry until 1936, then with Ronald George Wreyford Norrish. In 1937 he became university demonstrator; and from 1938 a Prize Fellow of Trinity College, Cambridge. At Cambridge he worked with John Lennard-Jones and Sydney Chapman. In 1938 he was awarded the Royal Institute of Chemistrys Meldola Medal and Prize.
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Spectroscopists
Kneipp was an undergraduate student at the Free University of Berlin, where she specialised in biology and physics. She remained in Berlin for graduate studies, where she worked on Fourier-transform infrared spectroscopy at RKI. After earning her doctorate, she moved to the Erasmus University Rotterdam, where she worked on optical spectroscopies. She was a postdoctoral researcher at Princeton University.
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Spectroscopists
Lorenz S. Cederbaum (born 26 October 1946 in Braunschweig, Germany) is a German physical chemist. He studied physics at the University of Munich and obtained his diplome in 1970, his Ph.D. in 1972 under Georg Hohlneicher, and habilitation in 1976. He was professor at the University of Freiburg before becoming professor for theoretical chemistry at the University of Heidelberg in 1979. Cederbaum is member of the International Academy of Quantum Molecular Science and the Academy of Sciences Leopoldina.
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Computational Chemists
Phoenix read biochemistry at the University of Liverpool followed by completion of a doctorate on amphiphilic membrane protein anchors. He studied part-time to obtain a degree in mathematics from the Open University and moved into the field of molecular engineering. He has published widely on the structure-function relationship of amphiphilic biomolecules, obtaining a Chair in Biochemistry in 2000. His work is multidisciplinary and focuses on the understanding of the structure function relationships used by amphiphilic bioactive molecules. He is especially known for his work on the design of antimicrobial peptides which led to the award of a Higher Doctorate by Liverpool University. He has held Visiting Chairs in Russia, China, Canada and the UK, including King's College London and Sichuan University. In addition to peer-reviewed papers, edited collections and research monographs he has also been recognised for publication of undergraduate textbooks and has written widely on the development of technical education and skills. He was elected to the Academy of Social Sciences for this work. He has an been involved in STEM communication and outreach as Editor in Chief for journals such as Biologist which are aimed at a broader readership and as Vice Chair of the Science Museum Group and Chair of the Museum for Science and Industry.
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Computational Chemists
Source: *Fellow, American Academy of Arts and Sciences (1991) *Fellow, Royal Society of London (1994) *Award from the Inter-American Photochemical Society (1996) *Award from the Royal Society of Chemistry (1996) *Centenary Lecture, Royal Society of Chemistry (1996) *Max T. Rogers Distinguished Lectureship, Michigan State University (1997) *Peter Debye Award in Physical Chemistry, American Chemical Society (1998) *Harrison Howe Award in Physical Chemistry, ACS (1999) *Earle K. Plyler Prize for Molecular Spectroscopy, American Physical Society (2002) *Sierra Nevada Distinguished Chemist Award (2003) *Porter Medal, European Photochemistry Association (2004) *Member, United States National Academy of Sciences (2007) *Presidential Lecture, Iowa State University (2008) *Ahmed Zewail Award in Ultrafast Science and Technology, American Chemical Society (2008) *Joel Henry Hildebrand Award in the Theoretical & Experimental Chemistry of Liquids, American Chemical Society (2009)
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Spectroscopists
Smalley was married four times, to Judith Grace Sampieri (1968–1978), Mary L. Chapieski (1980–1994), JoNell M. Chauvin (1997–1998) and Deborah Sheffield (2005), and had two sons, Chad Richard Smalley (born June 8, 1969) and Preston Reed Smalley (born August 8, 1997). In 1999, Smalley was diagnosed with cancer. Smalley died of leukemia, variously reported as non-Hodgkin's lymphoma and chronic lymphocytic leukemia, on October 28, 2005, at M.D. Anderson Cancer Center in Houston, Texas, at the age of 62. Upon Smalley's death, the US Senate passed a resolution to honor Smalley, crediting him as the "Father of Nanotechnology."
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Spectroscopists
In 1991, Russell moved to the United Kingdom, where she was appointed to the University of Liverpool. She spent three years in Liverpool before joining Newcastle University. In 1997 Russell moved to the University of Southampton. She was promoted to professor in 2007. Russells research considers the use of spectroscopy to better understand the interface between electrodes and electrolytes. She is particularly interested in gas sensors, metal-air batteries and fuel cells. She makes use of several international facilities, including the Diamond Light Source, ISIS Neutron and Muon Source and the Advanced Light Source. In particular, Russell has developed X-ray absorption spectroscopy for in situ' studies of electrocatalysts. In 2002, Russell chaired the Gordon Research Conference on Fuel Cells. Russell serves on the Engineering and Physical Sciences Research Council (EPSRC) College and the Diamond Light Source Strategic Advisory Committee. A keen user of the Diamond Light Source, Russell serves as Spectroscopy representative for the Diamond User Committee. In 2021 she was elected vice president of the International Society of Electrochemistry. Russell is involved with undergraduate and postgraduate teaching at the University of Southampton. She contributes to the Southampton Electrochemistry Summer Schools, which are attended by hundreds of delegates around the world. She was awarded the Faculty of Engineering and Physical Sciences Award for Best Pastoral Support in 2020.
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Spectroscopists
Vishnu Ganesh Bhide (1925–2006) was an Indian physicist and educationist, known for his pioneering work on Mossbauer spectroscopy and his contributions to science education in India. He was the scientific advisor to the Government of India during 1973-75 and a member of the International Commission on the Applications of Mossbauer Effect. The Government of India awarded him the fourth highest civilian honour of the Padma Shri in 1992.
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Spectroscopists
Prof. Rode's second main field of research lies in the area of bioinorganic chemistry, in particular abiogenesis. At the end of the 1980s Prof. Rode and his coworkers discovered the salt induced peptide formation reaction as a simple route to synthesis peptides from amino acid monomers under prebiotic conditions. Instead of enzymes transition metals act as catalyst to induce peptide formation in highly concentrated aqueous NaCl solution, with copper (II) showing the highest catalytic activity. Typically, evaporation cycle experiments have been carried out to mimic day/night cycles on shore and in lagoons, thereby generating supersaturated solutions. Since such solutions have a tendency to dilute themselves, the thermodynamic and kinetic unfavourable peptide formation reaction is promoted. The research conducted by Prof. Rode investigates the properties of the salt induced peptide formation reaction under various conditions, highlighting also its possible connection to biohomochirality. Furthermore, Prof. Rode also carried out Miller–Urey experiments, taking new insights of the composition of the primordial atmosphere into account. It was shown that peptides may also form in a neutral atmosphere (CO/N/HO) subject to electric discharges.
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Computational Chemists
*1996 CAREER Award, U.S. National Science Foundation *1997 Westinghouse Distinguished Professor in Materials Science and Engineering, Washington State University *1997 Alfred P. Sloan Research Fellow *2003 American Physical Society Fellow *2005 Distinguished Faculty Award, Washington State University *2005 Guggenheim Fellowship *2006 Humboldt Senior Research Award *2007 Sahlin Faculty Excellence Award for Research, Scholarship and Arts, Washington State University *2007 American Association for the Advancement of Science Fellow *2014 Earle K. Plyler Prize for Molecular Spectroscopy *2021 E. Bright Wilson Award in Spectroscopy *2023 Herbert P. Broida Prize
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Computational Chemists
The Indian Academy of Sciences was born out of conflicts during the procedures of proposal for a national scientific organisation in line with the Royal Society. In 1933, the Indian Science Congress Association (ISCA), at the time the largest scientific organisation, planned to establish a national science body, which would be authorised to advise the government on scientific matters. Sir Richard Gregory, then editor of Nature, on his visit to India had suggested Raman, as editor of Current Science, to establish an Indian Academy of Sciences. Raman was of the opinion that it should be an exclusively Indian membership as opposed to the general consensus that British members should be included. He resolved that "How can India Science prosper under the tutelage of an academy which has its own council of 30, 15 of who are Britishers of whom only two or three are fit enough to be its Fellows." On 1 April 1933, he convened a separate meeting of the south Indian scientists. He and Subba Rao officially resigned from ISCA. Raman registered the new organisation as Indian Academy of Sciences on 24 April to the Registrar of Societies. It was a provisional name to be changed to the Royal Society of India after approval from the Royal Charter. The Government of India did not recognise it as an official national scientific body, as such the ICSA created a separate organisation named the National Institute of Sciences of India on 7 January 1935 (but again changed to the Indian National Science Academy in 1970). INSA had been led by the foremost rivals of Raman including Meghnad Saha, Bhabha, Bhatnagar, and Krishnan.
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Spectroscopists
George W. Flynn (1938-January 8, 2020) was an American physical chemist and professor, known for his work in laser spectroscopy and scanning tunneling microscopy.
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Spectroscopists
She joined the School of Chemical Sciences, at Dublin City University in 2002. She is a member of the National Centre for Sensor Research at Dublin City University, the SFI CSET funded Biomedical Diagnostics Institute and holds a Marie Curie Fellowship from the Royal College of Surgeons of Ireland. In addition to her journal publications she has jointly authored a book (with two of her colleagues from DCU: Johannes G. Vos, Robert J. Forster) Interfacial Supramolecular Assemblies : Electrochemical and Photophysical Properties, Wiley, 2003.
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Spectroscopists
Alter is credited with having invented: *1836 - the electric telegraph, predating the Morse telegraph in 1837. *1840 - his electric buggy - the forerunner of the automobile. *1845 - a patented method to manufacture and purify bromine from salt wells, highly useful in the iron industry and displayed in the World's Fair of 1853 (see: Exhibition of the Industry of All Nations in New York City). *1854 - spectrum analysis, the idea that every element has its own emission spectrum: a breakthrough development in spectroscopy. The published article was: On Certain Physical Properties of Light Produced by the Combustion of Different Metals in an Electric Spark Refracted by a Prism. He included a chart of the colored lines or bands of twelve metals and paved the way by showing the spectral lines of brass corresponded to copper and zinc. *1855 - an expansion of spectrum analysis to include the optical properties of gas. These discoveries were later implemented and included by Gustav Kirchhoff and Robert Bunsen in the Three Laws of Spectroscopy. *1858 - a patented method to extract oil from coal and shale, along with a partner Samuel Hill. Their invention sped manufacturing, but was replaced by technology in a few years. *An electric clock. *A short range type of telephone - forerunner of the Graham Bell telephone.
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Spectroscopists
Oganov speaks 5 languages (Russian, English, French, German, and Italian), is married, has four children and is a parishioner of St. Louis Catholic Church in Moscow.
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Computational Chemists
Albrecht graduated in 1979 from Cornell University, Ithaca and was awarded a doctorate in 1983 at University of Pennsylvania, Philadelphia on cosmology. His thesis advisor was Paul Steinhardt. He later carried out post-doctoral research at University of Texas, Austin and at Los Alamos National Laboratory. Albrecht later worked at Fermilab from 1987 to 1992 and subsequently taught at Imperial College, London from 1992 to 1998. Albrecht is a Fellow of the American Physical Society and Fellow of the Institute of Physics (UK).
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Spectroscopists
In addition to the research fellowships awarded during her career, Martin has received many honours in recognition of her professional contributions including: *2005 Roche Medal, Australian Society for Biochemistry and Molecular Biology *2005 Queensland Government Smart Women Smart State Award (Research Scientist Category) *2006 Women in Biotech Outstanding Biotechnology Researcher Award *2007 Dorothy Hodgkin Memorial Lecture, Oxford *2007 Honorary Life Membership, Questacon (National Science and Technology Centre), Canberra *2010 Lady Masson Lecture, The University of Melbourne *2011 Women in Technology Outstanding Biotechnology Achievement *2015 Finalist, Newscorp QLD Pride of Australia Inspiration Category *2015 Finalist, NAB Women's Agenda, Mentor of the Year *2016, Finalist, Queensland Telstra Business Women of the Year, Public Sector and Academia *2017, Wunderly Oration and Medal, Thoracic Society of Australia and New Zealand *2017, Elected Fellow of the Australian Academy of Science *2017, Elected Eminent Fellow of the Royal Australian Chemical Institute *2017, Inducted Bragg Member, Royal Institution of Australia *2018, Made a Companion of the Order of Australia for "eminent service to science, and to scientific research, particularly in the field of biochemistry and protein crystallography applied to drug-resistant bacteria, as a role model, and as an advocate for gender equality in science". *2019, Appointed to the University of Wollongong as Deputy Vice-Chancellor (Research and Innovation). *2020, Leach Lecture and Medal, Lorne Protein Conference *2023, Ralph Slatyer Medal and Lecture, Australian National University Martin has held leadership roles on national and international committees. She is a former chair of the National Committee for Crystallography of the Australian Academy of Science (2008–2011), a past President of the Society for Crystallographers in Australia and New Zealand (2003–2005) and a former member of the Scientific Advisory Committee of the [http://www.synchrotron.org.au/ Australian Synchrotron] (2002–2009, 2015-18), the President of the [http://asca.iucr.org/ Asian Crystallography Association] (2016–2019) and a member of the Executive Committee of the [http://www.iucr.org/ International Union of Crystallography] (2017–2023). She is currently a Trustee of the Cambridge Crystallographic Data Centre (2023-) and Chair of the worldwide Protein Data Bank Advisory Committee (2022-).
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Computational Chemists
Bidelman was elected to the American Astronomical Society in 1944. and was a member for over 65 years. He was president of the Cleveland Astronomical Society from 1973 to 1976. Bidelman was elected to the international science honor society Sigma Xi by Case Western Reserve University. The minor planet 9398 Bidelman (1994 SH3), discovered by the Arizona group Spacewatch at Kitt Peak on September 28, 1994, was named in his honor. It is an outer main belt asteroid. The peculiar supergiant star HD 30353 is named "Bidelman's star".
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Spectroscopists
Abney was born in Derby, England, the son of Rev. Edward Henry Abney (1811–1892), vicar of St Alkmund's Church, Derby, and his wife, Catharine Strutt. His father was owner of the Firs Estate. William was educated at Rossall School, the Royal Military Academy, Woolwich, and joined the Royal Engineers in 1861, with which he served in India for several years. Thereafter, and to further his knowledge in photography, he became a chemical assistant at the Chatham School of Military Engineering. Abney was a pioneer of several technical aspects of photography. His father had been an early photographic experimenter and friend of Richard Keene, an early Derby photographer. Keene became a close friend of William and his brother Charles Edward Abney (1850–1914). Both Abney sons subsequently became founder members of the Derby Photographic Society in June 1884. His endeavors in the chemistry of photography produced useful photographic products and also developments in astronomy. He wrote many books on photography that were considered standard texts at the time, although he was doubtful that his improvements would have a great impact on the subject. Abney investigated the blackening of a negative to incidental light. In 1874, Abney developed a dry photographic emulsion, which replaced "wet" emulsions. He used this emulsion in an Egyptian expedition to photograph the transit of Venus across the sun. In 1880, he introduced hydroquinone. Abney also introduced new and useful types of photographic paper, including in 1882 a formula for gelatin silver chloride paper. He was elected a Fellow of the Royal Society in 1876. Abney conducted early research into the field of spectroscopy, developing a red-sensitive emulsion which was used for the infrared spectra of organic molecules. He was also a pioneer in photographing the infrared solar spectrum (1887), as well as researching sunlight in the medium of the atmosphere. In 1893 he inherited Meashan Hall from a rich aunt. He became assistant secretary to the Board of Education in 1899 and advisor to that body in 1903. In 1900 he was Director of the Science and Art Department. He sold his fathers estate, most of which went for housing in the St Lukes Parish of Derby, but retained 11 acres until 1913 when they were purchased by the Council to become the site of Rykneld Secondary Modern School and Rykneld recreation ground. Abney invented the "Abney level", a combined clinometer and spirit level, used by surveyors to measure slopes and angles. He was responsible for the "Abney mounting" of a concave grating spectrograph in which the photographic plate was fixed and the entry slit moved to accommodate different regions of the spectrum. He died on 3 December 1920 in Folkestone, England. He is buried in the churchyard of Holy Trinity Church in Folkestone.
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Spectroscopists
Siahrostami joined the University of Calgary as an assistant professor in 2018, and was promoted to associate professor in 2022. Her research involves computational chemistry for the design of new catalyst materials. Specifically, she studies the oxygen reduction reaction and the carbon dioxide reduction reaction. The oxygen reduction reaction limits the efficiency of fuel cells. Siahrostami hopes that her simulations can provide insight about the active sites for oxygen reduction, helping to develop new, more efficient cathode materials. The carbon dioxide reduction reaction offers hope for carbon dioxide mitigation, as well as providing a new strategy to produce chemicals and fuels. Siahrostami makes use of carbon-based nanomaterials for carbon dioxide reduction reaction catalysis. Some of the catalysts that she has predicted computationally have since been commercialised. Alongside reduction reactions, Siahrostami is interested in hydrogen: both the synthesis of hydrogen peroxide for water purification and the production of clean hydrogen.
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Computational Chemists
George Claude Pimentel (May 2, 1922 – June 18, 1989) was a preeminent chemist and researcher. He was also dedicated to science education and public service. the inventor of the chemical laser. He developed the technique of matrix isolation in low-temperature chemistry. He also developed time-resolved infrared spectroscopy to study radicals and other transient species. In the late 1960s, Pimentel led the University of California team that designed the infrared spectrometer for the Mars Mariner 6 and 7 missions that analyzed the surface and atmosphere of Mars. He was a passionate and popular teacher of first-year chemistry for his entire career. In science education, he was best known for the [https://archive.org/details/chemstudystory00merr/page/n7/mode/2up CHEM STUDY project], a national effort to improve high-school chemistry teaching. He participated in the production of films and other supplementary materials and in the training of teachers nationwide. Later, in 1985, he organized and edited the National Academy of Sciences' "Pimentel Report," formally known as [https://nap.nationalacademies.org/catalog/606/opportunities-in-chemistry Opportunities in Chemistry], which highlighted the most important challenges in chemistry at that time. It was a resource for general public including lawmakers. A revised version, [https://nap.nationalacademies.org/catalog/1884/opportunities-in-chemistry-today-and-tomorrow Opportunities in Chemistry Today and Tomorrow], was used worldwide for high school and college students. An alumnus of University of California, Los Angeles (B.S. 1943) and University of California, Berkeley (Ph.D. 1949), Pimentel began teaching at Berkeley in 1949, where he remained until his death in 1989 from intestinal cancer, with a three year appointment as Deputy Director at the National Science Foundation under the Carter administration in Washington, D.C..
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* India celebrates National Science Day on 28 February of every year to commemorate the discovery of the Raman effect in 1928. *Postal stamps featuring Raman were issued in 1971 and 2009. *A road in India's capital, New Delhi, is named C. V. Raman Marg. * An area in eastern Bangalore is called CV Raman Nagar. *The road running north of the national seminar complex in Bangalore is named C. V. Raman Road. * A building at the Indian Institute of Science in Bangalore is named the Raman Building. * A hospital in eastern Bangalore on 80 Ft. Rd. is named the Sir C. V. Raman Hospital. * There is also CV Raman Nagar in Trichy, his birthplace. *Raman, a lunar crater is named after C. V. Raman. *C. V. Raman Global University was established in 1997. * In 1998, the American Chemical Society and Indian Association for the Cultivation of Science recognised Raman's discovery as an International Historic Chemical Landmark at the Indian Association for the Cultivation of Science in Jadavpur, Calcutta, India. The inscription on the commemoration plaque reads: * Dr. C.V. Raman University was established in Chhattisgarh in 2006. * On 7 November 2013, a Google Doodle honoured Raman on the 125th anniversary of his birthday. *Raman Science Centre in Nagpur is named after Sir C. V. Raman. *Dr. C.V. Raman University, Bihar was established in 2018. *Dr. C.V. Raman University, Khandwa was established in 2018.
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De Leeuw is interested in computational models of energy materials, biomaterials and minerals. She uses molecular dynamics and density functional theory. In 2000 she joined the University of Reading as a lecturer in Physical Chemistry. She was awarded an Engineering and Physical Sciences Research Council (EPSRC) Advanced Research Fellowship. She worked as an associate professor in computational materials science at Birkbeck, University of London, from 2004. She was appointed a professor of computational materials science at University College London in 2007. De Leeuw designed computational models of olivine dust grains, a mineral that is common to the solar system, and studied how it interacted with water at high temperatures. She demonstrated that the grains could hold water at temperatures up to 630 °C. She studied the chemistry of hot vents on the sea floor, which De Leeuw proposed could produce the organic molecules essential for life. She has also investigated biomaterials, such as the carbonated hydroxyapatite present in bone and teeth. She investigated the nucleation of calcium carbonate. De Leeuw was awarded a Royal Society Wolfson Research Merit Award in 2010. She was awarded a Royal Society industrial fellowship to study how radiation impacted materials for nuclear energy. In 2014 De Leeuw was awarded an Atomic Weapons Establishment (AWE) William Penney Fellowship. At University College London, De Leeuw directed the Centre for Doctoral Training (CDT) in molecular modelling & materials science. She is also a member of the EPSRC programme on energy materials. She uses computer-aided design to create new catalysts for the conversion of carbon dioxide to fuels. De Leeuw joined Cardiff University in 2015. She was a member of the low-carbon economy research group, an EPSRC supported multi-institutional collaboration that looks to convert carbon dioxide to fuels and chemicals. She led the Cardiff University - Kwame Nkrumah University of Science and Technology - University of Namibia Chem4Energy programme, which developed novel solar materials and benign catalysts. She holds a professorship in theoretical geochemistry at Utrecht University and University of Paris-Est. At Cardiff University, de Leeuw worked on the university's European strategy and collaborations. These included Horizon 2020, the Erasmus Programme and the Bologna Process. On 31 May 2019, it was announced that de Leeuw would take up the newly created post of executive dean in the newly formed Faculty of Engineering and Physical Sciences at the University of Leeds on 1 January 2020.
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Computational Chemists
Both of Prokhorov's parents died during World War II. Prokhorov married geographer Galina Shelepina in 1941, and they had a son, Kiril, born in 1945. Following his father, Kiril Prokhorov became a physicist in the field of optics and is currently leading a laser-related laboratory at the A. M. Prokhorov General Physics Institute.
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Spectroscopists
Mössbauer married Elizabeth Pritz in 1957. They had a son, Peter and two daughters Regine and Susi. They divorced in 1983, and he married his second wife Christel Braun in 1985. Mössbauer died at Grünwald, Germany on 14 September 2011 at the age of 82.
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Spectroscopists
Werner Urland (born 13 April 1944) is a German chemist whose name is imprinted in the pioneering implementation of the Angular Overlap Model (AOM: a specific paradigm for accounting metal ions in complexes or crystals ) for the interpretation of optical and magnetic properties of rare-earth coordination compounds. This approach receives a renewed value in the context of the vogue around the lanthanide-based new materials, such as achieving magnets at molecular scale, or designing new phosphor materials.
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Computational Chemists
Filizola joined the Department of Physiology & Biophysics at Mount Sinai School of Medicine (MSSM) as an instructor in 2002. She continued in this role at Weill Medical College (WMC) of Cornell University, also in New York City, until she was promoted assistant professor in 2005. She returned to Mount Sinai as an assistant professor in the Department of Structural and Chemical Biology, where she was later promoted associate professor (with tenure since January 2013), and then full professor in 2014. Following three years as co-director of the Structural/Chemical Biology and Molecular Design (SMD) Graduate Program, and one year as co-director of the Biophysics and Systems Pharmacology (BSP) Graduate Program, she was appointed dean of the graduate school of biomedical sciences at Mount Sinai in May 2016. Dr. Filizola has also served as grant reviewer for NIH and other agencies for over 10 years. Currently, she is a regular study section member of the Biophysics of Neural Systems (BPNS) study section of NIH.
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Computational Chemists
* Lieben Prize (1919) * Abbe Memorial Prize * Abbe Medal of the Carl Zeiss Institute, Jena (1932) * Nobel Prize in Physics (1936) * Austrian Decoration for Science and Art (1959) * A lunar crater is named after Hess
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Spectroscopists
Hermann Hartmann (4 May 1914 in Bischofsheim an der Rhön – 22 October 1984 in Glashütten im Taunus) was a German chemist and professor and researcher in physical and theoretical chemistry at the University of Frankfurt am Main. He contributed to all fields of physical chemistry and was instrumental in establishing theoretical chemistry by developing Ligand field theory (1947) and other quantum chemical models including the Hartmann Potential (1971). He also formulated a new perturbation theory (1970–1977) as part of his pioneering research towards a unified field theory of chemical bonding based on a non-linear Schrödinger equation (1980).
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Computational Chemists
In July, 1907, Burwell was appointed to a "human computer" position at Mount Wilson Observatory. In 1910, she attended the fourth conference of the International Union for Cooperation in Solar Research, when it was held at Mount Wilson. Burwell specialized in stellar spectroscopy. She was solo author on some scientific publications, and co-authored several others (some of which she was lead author), with notable collaborators including Dorrit Hoffleit, Henrietta Swope, Walter S. Adams, and Paul W. Merrill. With Merrill she compiled several catalogs of Be stars, in 1933, 1943, 1949, and 1950. She also helped to tend the Mount Wilson Observatory Library. She retired from the observatory in 1949, but continued speaking about astronomy to community groups. She also published a book of poetry, Neatly Packed.
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Spectroscopists
She married the physicist Karl Rebane. Their children Aleksander and Inna Rebane both became physicists themselves.
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Spectroscopists
Peter V. Coveney is a British chemist who is Professor of Physical Chemistry, Honorary Professor of Computer Science, and the Director of the Centre for Computational Science (CCS) and Associate Director of the Advanced Research Computing Centre at University College London (UCL). He is also a Professor of Applied High Performance Computing at University of Amsterdam (UvA) and Professor Adjunct at the Yale School of Medicine, Yale University. He is a Fellow of the Royal Academy of Engineering and Member of Academia Europaea.
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Computational Chemists
He then became an assistant at the Physics Institute. Czerny attracted attention at the time when, following the Stern-Gerlach experiment (1922), which demonstrated the existence of half-integer quantum numbers in electron spin, he also found them in the rotation bands of molecules (gaseous hydrogen halides). His subsequent study of the rotation bands on alkali halide crystals (with R. Bowling Barnes, C. H. Cartwright) provided the first evidence of what were later described as multiphonon effects. In 1927 he earned his habilitation and in 1934 he became an associate professor in Berlin (as the successor Peter Pringsheim, who was dismissed by the Nazi regime), but left after the institute in Berlin was switched to military research due to the change in leadership from Walther Nernst to Erich Schumann and the scientific environment deteriorated due to confidentiality regulations. In 1938 he became a professor for experimental physics to Frankfurt and became director of the physical institute there. His predecessor Karl Wilhelm Meissner, who wanted to bring Czerny to Frankfurt in 1934, had previously been dismissed there by the National Socialists. Initially, Czerny had to pay for the equipment for infrared spectroscopy out of his own pocket, since the institute in Frankfurt had previously operated optical spectroscopy. During the Second World War, his institute was largely destroyed by bombing raids. After the war, in 1947, he spent six months in military research for the US Navy in California. After the war he led the slow reconstruction of the Physics Institute and retired in 1961. However, Czerny worked until 1976 in the internship for beginners. In 1966 he received an honorary doctorate in Göttingen.
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Spectroscopists
Kim published over 400 papers in prestigious journals such as Nature, Science, Nature Nanotechnology, Nature Communications, Chemical Reviews, Chemical Reviews Society, Proc. Natl. Acad. Sci, Accounts of Chemical Research, Physical Review Letters, Journal of the American Chemical Society, Angewandte Chemie International Edition, Chemistry - A European Journal, Organic Letters, The Journal of Organic Chemistry, Physical Review, The Journal of Chemical Physics, The Journal of Physical Chemistry, etc.
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Computational Chemists
* Director Center for Superfunctional Materials (CSM), UNIST (2014–present) * Distinguished Professor of Dept. of Chemistry, UNIST (2014–present) * Director of CSM, Pohang University of science and Technology POSTECH (1997-2014) * Professor of Dept. of Chemistry at Pohang University of Science & Technology POSTECH (1988-2014) * Visiting Scholar, Dept. Elect. Engineering & Nano Center, Columbia University (2004-2005) * Visiting Scientist/Professor, Dept. of physics, MIT (1994-1995) * Visiting Assistant Professor, Researcher Assistant Professor, Rutgers University (1985-1987) * Postdoctoral Researcher Fellow, IBM (1982-1985) * Instructor, Assistant professor, Dept. of Physics Chungnam National University. (1975-1978)
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Computational Chemists
*Fellow of the Royal Society (1932) *The Hartree unit of energy is named after him. *The Hartree Centre is named after him.
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Computational Chemists
Martin Gruebele (born January 10, 1964, in Stuttgart, Germany) is a German-born American physical chemist and biophysicist who is currently James R. Eiszner Professor of Chemistry, Professor of Physics, Professor of Biophysics and Computational Biology at the University of Illinois Urbana-Champaign, where he is the principal investigator of the Gruebele Group.
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Computational Chemists
His first major scientific contribution was the application of the concept of dipole moment to the charge distribution in asymmetric molecules in 1912, developing equations relating dipole moments to temperature and dielectric constant. In consequence, the units of molecular dipole moments are termed debyes in his honor. Also in 1912, he extended Albert Einstein's theory of specific heat to lower temperatures by including contributions from low-frequency phonons. See Debye model. In 1913, he extended Niels Bohr's theory of atomic structure, introducing elliptical orbits, a concept also introduced by Arnold Sommerfeld. In 1914–1915, Debye calculated the effect of temperature on X-ray diffraction patterns of crystalline solids with Paul Scherrer (the "Debye–Waller factor"). In 1923, together with his assistant Erich Hückel, he developed an improvement of Svante Arrhenius' theory of electrical conductivity in electrolyte solutions. Although an improvement was made to the Debye–Hückel equation in 1926 by Lars Onsager, the theory is still regarded as a major forward step in our understanding of electrolytic solutions. Also in 1923, Debye developed a theory to explain the Compton effect, the shifting of the frequency of X-rays when they interact with electrons.
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Spectroscopists
Nicholas Harrison FRSC FinstP (born 5 November 1964) is an English theoretical physicist known for his work on developing theory and computational methods for discovering and optimising advanced materials. He is the Professor of Computational Materials Science in the Department of Chemistry at Imperial College London where he is co-director of the Institute of Molecular Science and Engineering.
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Computational Chemists
Dr. Schnell has acted as chair of the Department of Molecular & Integrative Physiology in the Medical School from 2017 to 2021. During his time leading the largest basic science department at Michigan Medicine, he helped it maintain its status as the top National Institutes of Health-funded physiology department in the nation. Under his leadership, the department increased its total annual operating revenue from $20.7 to $26.9 million and total cash and investments from $11.2 to $17.2 million. The overall department endowment increased from $5.4 to $8.3 million during his tenure, he successfully completed fundraising for two endowed collegiate professorships, and he established an endowment to support postdoctoral program activities. During his tenure, six faculty were elected fellows of the American Association for the Advancement of Science and one of the Latin American Academy of Science. He stewarded an increase of the diversity of trainees in the department's educational programs, which now consist of nearly one-third underrepresented minorities. Between 2016 and 2017, in collaboration with Dr. David Brown and the Office for Health Equity and Inclusion, he led the development, coordination and implementation of the strategic plan for diversity, equity and inclusion of the 10 basic science departments/units in the Medical School. As an educator, Schnell co-organized the establishment of a summer fellowship program to attract undergraduate students to gain hands-on research experiences in the department. He also led the independent funding of a summer fellowship program through an NIDDK R25 grant "Interfacing Computation and Engineering with Digestive and Metabolic Physiology Program." This program served as a template to fund two additional R25 programs, effectively creating an umbrella program which attracts approximately 75 students annually from across the nation to pursue research in our medical school.
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Computational Chemists
Hewish married Marjorie Elizabeth Catherine Richards in 1950. They had a son, a physicist, and a daughter, a language teacher. Hewish died on 13 September 2021, aged 97.
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Spectroscopists
Peter Pulay (born September 20, 1941, in Veszprém, Hungary) is a theoretical chemist. He is the Roger B. Bost Distinguished Professor of Chemistry in the Department of Chemistry and Biochemistry at the University of Arkansas, United States. One of his most important contributions is the introduction of the gradient method in quantum chemistry. This allows the prediction of the geometric structure of a molecule using computational chemical programs to be almost routine. He is the main author of the PQS computational chemistry program. His work was cited in the official background material for the 1998 Nobel Prize in chemistry. Among many honors, he was made a Foreign Member of the Hungarian Academy of Sciences in 1993. He is a member of the International Academy of Quantum Molecular Science.
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Computational Chemists
Bunker received the Humboldt Prize (1995), the Medaili Jana Marca Marci of the Czech Spectroscopy Society (2002), and the 2002 Sir Harold Thompson Memorial Award, which is sponsored by Pergamon Press (now Elsevier) for the most significant advance in spectroscopy published in Spectrochimica Acta each year. He is a fellow of the International Union of Pure and Applied Chemistry.
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Spectroscopists
During October 1933 to March 1934, Max Born was employed by IISc as Reader in Theoretical Physics following the invitation by Raman early in 1933. Born at the time was a refugee from Nazi Germany and temporarily employed at St Johns College, Cambridge. Since the beginning of the 20th century Born had developed a theory on lattice dynamics based on thermal properties. He presented his theory in one of his lectures at IISc. By then Raman had developed a different theory and claimed that Borns theory contradicted the experimental data. Their debate lasted for decades. In this dispute, Born received support from most physicists, as his view was proven to be a better explanation. Ramans theory was generally regarded as having a partial relevance. Beyond the intellectual debate, their rivalry extended to personal and social levels. Born later said that Raman probably thought of him as an "enemy." In spite of the mounting evidence for Borns theory, Raman refused to concede. As the editor of Current Science he rejected articles which supported Born's theory. Born was nominated several times for the Nobel Prize specifically for his contributions to lattice theory, and eventually won it for his statistical works on quantum mechanics in 1954. The account was written as a "belated Nobel Prize."
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Spectroscopists
In 1986, he joined Morgan Stanley, as Vice President for Technology in Nunzio Tartaglias automated proprietary trading group. In 1994, Shaw was appointed by President Clinton to the Presidents Council of Advisors on Science and Technology, where he was chairman of the Panel on Educational Technology. In 2000, he was elected to the board of directors of the American Association for the Advancement of Science served as its treasurer 2000–2010. In 2007, Shaw was elected as a fellow of the American Academy of Arts and Sciences. In 2009, he was appointed by President Obama again to the President's Council of Advisors on Science and Technology. In 2012, he was elected to the National Academy of Engineering and in 2014 was elected to the National Academy of Sciences.
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Computational Chemists
Marianus Czerny (17 February 1896 – 10 September 1985) was a German experimental physicist who focused on molecular spectroscopy, especially infrared spectroscopy. He was Professor at Johann Wolfgang Goethe-University in Frankfurt.
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Spectroscopists
*"Distinguishing Tunneling Pathways for Two Chiral Conformer Pairs of 1,3-Propanediol from the Microwave Spectrum". Plusquellic DF, Lovas FJ, Pate BH, Neill JL, Muckle MT, Remijan AJ. J Phys Chem A. October 13, 2009. *"Semiexperimental Equilibrium Structure for the C-6 Backbone of cis-1,3,5-Hexatriene; Structural Evidence for Greater pi-Electron Delocalization with Increasing Chain Length in Polyenes". Suenram RD, Pate BH, Lesarri A, Neill JL, Shipman S, Holmes RA, Leyden MC, Craig NC. J. Phys. Chem. A. 113, 1864-1868 (2009). *"Conformational isomerization kinetics of pent-1-en-4-yne with 3,330 cm(-1) of internal energy measured by dynamic rotational spectroscopy". Dian BC, Brown GG, Douglass KO, Rees FS, Johns JE, Nair P, Suenram RD, Pate BH. PNAS. 105, 12696-12700 (2008). *"Gas-phase conformational distributions for the 2-alkylalcohols 2-pentanol and 2-hexanol from microwave spectroscopy". Tubergen MJ, Conrad AR, Chavez RE, Hwang I, Suenram RD, Pajski JJ, Pate BH. J. Mol. Spec. 251, 330-338 (2008). *"A broadband Fourier transform microwave spectrometer based on chirped pulse excitation". Brown GG, Dian BC, Douglass KO, Geyer SM, Shipman ST, Pate BH. Review of Scientific Instruments. 79, 053103 (2008)
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Spectroscopists
One of Ramans interests was on the scientific basis of musical sounds. He was inspired by Hermann von Helmholtzs The Sensations of Tone, the book he came across when he joined IACS. He published his findings prolifically between 1916 and 1921. He worked out the theory of transverse vibration of bowed string instruments based on superposition of velocities. One of his earliest studies was on the wolf tone in violins and cellos. He studied the acoustics of various violin and related instruments, including Indian stringed instruments, and water splashes. He even performed what he called "Experiments with mechanically-played violins." Raman also studied the uniqueness of Indian drums. His analyses of the harmonic nature of the sounds of tabla and mridangam were the first scientific studies on Indian percussions. He wrote a critical research on vibrations of the pianoforte string that was known as Kaufmanns theory. During his brief visit of England in 1921, he managed to study how sound travels in the Whispering Gallery of the dome of St Pauls Cathedral in London that produces unusual sound effects. His work on acoustics was an important prelude, both experimentally and conceptually, to his later works on optics and quantum mechanics.
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Spectroscopists
Margaret Belle (Oakley) Dayhoff (March 11, 1925 – February 5, 1983) was an American physical chemist and a pioneer in the field of bioinformatics. Dayhoff was a professor at Georgetown University Medical Center and a noted research biochemist at the National Biomedical Research Foundation, where she pioneered the application of mathematics and computational methods to the field of biochemistry. She dedicated her career to applying the evolving computational technologies to support advances in biology and medicine, most notably the creation of protein and nucleic acid databases and tools to interrogate the databases. She originated one of the first substitution matrices, point accepted mutations (PAM). The one-letter code used for amino acids was developed by her, reflecting an attempt to reduce the size of the data files used to describe amino acid sequences in an era of punch-card computing. Her PhD degree was from Columbia University in the department of chemistry, where she devised computational methods to calculate molecular resonance energies of several organic compounds. She did postdoctoral studies at the Rockefeller Institute (now Rockefeller University) and the University of Maryland, and joined the newly established National Biomedical Research Foundation in 1959. She was the first woman to hold office in the Biophysical Society and the first person to serve as both secretary and eventually president.
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Computational Chemists
Jean Lecomte (August 5, 1898 - March 28, 1979) was a French physicist, researcher and professor of physics at CNRS.
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Spectroscopists
Hammes-Schiffer held positions on the faculty at the University of Notre Dame as Clare Boothe Luce Assistant Professor of Chemistry and Biochemistry (1995-2000) and at Pennsylvania State University (2000-2012). In 2012 she joined the University of Illinois at Urbana-Champaign as Swanlund Professor of Chemistry, where she remained until 2017. Since then, she has led the Hammes-Schiffer Research Group at Yale University, where she was named John Gamble Kirkwood Professor of Chemistry in 2018, and Sterling Professor of Chemistry in 2021. Starting January 2024, she will join the faculty at Princeton University. Hammes-Schiffer is an author or co-author on nearly 200 papers, and has given more than 200 invited talks.
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Computational Chemists
Donald received a B.A. summa cum laude in Russian Language and Literature from Yale University in 1980. After working at the Laboratory for Computer Graphics and Spatial Analysis in the Graduate School of Design at Harvard University, he then attended MIT EECS, where he received his S.M. in EECS (1984) and Ph.D. in Computer Science (1987) under the supervision of professor Tomás Lozano-Pérez in the MIT AI Lab (Artificial Intelligence Laboratory). He joined the Cornell University Department of Computer Science as an assistant professor in 1987. At Cornell, Donald received tenure in 1993, and served as associate professor of computer science at Cornell University until 1998. While on sabbatical at Stanford University (1994-1996), he worked at Paul Allen's research & development and technology incubator Interval Research Corporation (1995-1997), where he and Tom Ngo co-invented Embedded Constraint Graphics. After moving to Dartmouth, Donald was the Joan P. and Edward J. Foley Jr 1933 Professor of Computer Science, Dartmouth College until 2006 when he moved to Duke University. Currently Donald is the James B. Duke Professor of Computer Science, Chemistry, and Biochemistry, in the Trinity College of Arts and Sciences at Duke University and in the School of Medicine, Duke University Medical Center. Donald was appointed William and Sue Gross Professor from 2006 to 2012, and was named James B. Duke Professor in 2012. He is a fellow of the Association for Computing Machinery (ACM) and a fellow of the IEEE. Previously, he was a Guggenheim Fellow (2001–2002) and received a National Science Foundation Presidential Young Investigator Award (1989–1994). In 2015, Donald was elected a fellow of the American Association for the Advancement of Science (AAAS), for contributions to computational molecular biology.
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Computational Chemists
Alfred Zakhele Msezane is a South African physicist. He is a professor in the Department of Physics at Clark Atlanta University, and the Founding Director of the Center for Theoretical Studies of Physical Systems. His research is primarily in theoretical atomic physics and condensed matter theory. He also carries out research in mathematical physics, and image processing.
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Spectroscopists
Fleming resigned from his position as vice chancellor for research (2015) and was subsequently removed as a Berkeley Global Campus ambassador (2016) following the filing of a harassment complaint against him by a former employee in 2014. The investigation that followed determined Fleming had violated the University of California's sexual harassment policy.
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Spectroscopists
Kim E. Jelfs is a computational chemist based at Imperial College London who was one of the recipients of the Harrison-Meldola Memorial Prizes in 2018. She develops software to predict the structures and properties of molecular systems for renewable energy.
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Computational Chemists
In September 1821, Wheatstone brought himself into public notice by exhibiting the Enchanted Lyre, or Acoucryptophone, at a music shop at Pall Mall and in the Adelaide Gallery. It consisted of a mimic lyre hung from the ceiling by a cord, and emitting the strains of several instruments – the piano, harp, and dulcimer. In reality it was a mere sounding box, and the cord was a steel rod that conveyed the vibrations of the music from the several instruments which were played out of sight and ear-shot. At this period Wheatstone made numerous experiments on sound and its transmission. Some of his results are preserved in Thomsons Annals of Philosophy' for 1823. He recognised that sound is propagated by waves or oscillations of the atmosphere, as light was then believed to be by undulations of the luminiferous ether. Water, and solid bodies, such as glass, or metal, or sonorous wood, convey the modulations with high velocity, and he conceived the plan of transmitting sound-signals, music, or speech to long distances by this means. He estimated that sound would travel through solid rods, and proposed to telegraph from London to Edinburgh in this way. He even called his arrangement a telephone. (Robert Hooke, in his Micrographia, published in 1667, writes: I can assure the reader that I have, by the help of a distended wire, propagated the sound to a very considerable distance in an instant, or with as seemingly quick a motion as that of light. Nor was it essential the wire should be straight; it might be bent into angles. This property is the basis of the mechanical or lover's telephone, said to have been known to the Chinese many centuries ago. Hooke also considered the possibility of finding a way to quicken our powers of hearing.) A writer in the Repository of Arts for 1 September 1821, in referring to the Enchanted Lyre, beholds the prospect of an opera being performed at the King's Theatre, and enjoyed at the Hanover Square Rooms, or even at the Horns Tavern, Kennington. The vibrations are to travel through underground conductors, like to gas in pipes. : And if music be capable of being thus conducted, he observes, perhaps the words of speech may be susceptible of the same means of propagation. The eloquence of counsel, the debates of Parliament, instead of being read the next day only, – But we shall lose ourselves in the pursuit of this curious subject. Besides transmitting sounds to a distance, Wheatstone devised a simple instrument for augmenting feeble sounds, to which he gave the name of Microphone. It consisted of two slender rods, which conveyed the mechanical vibrations to both ears, and is quite different from the electrical microphone of Professor Hughes. In 1823, his uncle, the musical instrument maker, died, and Wheatstone, with his elder brother, William, took over the business. Charles had no great liking for the commercial part, but his ingenuity found a vent in making improvements on the existing instruments, and in devising philosophical toys. He also invented instruments of his own. One of the most famous was the Wheatstone concertina. It was a six sided instrument with 64 keys, logically arranged for simple chromatic fingerings. The English concertina became increasingly famous throughout his lifetime, however it didn't reach its peak of popularity until the early 20th century. In 1827, Wheatstone introduced his kaleidophone, a device for rendering the vibrations of a sounding body apparent to the eye. It consists of a metal rod, carrying at its end a silvered bead, which reflects a spot of light. As the rod vibrates the spot is seen to describe complicated figures in the air, like a spark whirled about in the darkness. His photometer was probably suggested by this appliance. It enables two lights to be compared by the relative brightness of their reflections in a silvered bead, which describes a narrow ellipse, so as to draw the spots into parallel lines. In 1828, Wheatstone improved the German wind instrument, called the Mundharmonika, creating the symphonium (or symphonion), a mouth-blown free-reed instrument with a logical layout of button keys, patented on 19 December 1829, prefiguring the bellows-blown English concertina. The portable harmonium is another of his inventions, which gained a prize medal at the Great Exhibition of 1851. He also improved the speaking machine of De Kempelen, and endorsed the opinion of Sir David Brewster, that before the end of this century a singing and talking apparatus would be among the conquests of science. In 1834, Wheatstone, who had won a name for himself, was appointed to the Chair of Experimental Physics in King's College London. His first course of lectures on sound were a complete failure, due to his abhorrence of public speaking. In the rostrum he was tongue-tied and incapable, sometimes turning his back on the audience and mumbling to the diagrams on the wall. In the laboratory he felt himself at home, and ever after confined his duties mostly to demonstration.
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Spectroscopists
*Joel Henry Hildebrand Award, 2015, *Humboldt Research Award, 2009 *Fellow of the American Association for the Advancement of Science, 2008 *Visiting Faculty Member, University of Kyoto, August – November 2005 *Guggenheim Fellow, 2001-2002
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Computational Chemists
Professor Jennifer Louise "Jenny" Martin is an Australian scientist and academic. She was the Deputy Vice-Chancellor (Research and Innovation) at the University of Wollongong, in New South Wales from 2019-2022. She is a former Director of the [https://www2.griffith.edu.au/institute-drug-discovery Griffith Institute for Drug Discovery] at Griffith University. and a former Australian Research Council Laureate Fellow at the Institute for Molecular Bioscience, University of Queensland. Martin is an Honorary Professor at the University of Queensland and Adjunct Professor at Griffith University. Her research expertise encompasses structural biology, protein crystallography, protein interactions and their applications in drug design and discovery.
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Computational Chemists
William L. Jorgensen (born October 5, 1949, New York) is a Sterling Professor of Chemistry at Yale University. He is considered a pioneer in the field of computational chemistry. Some of his contributions include the TIP3P, TIP4P, and TIP5P water models, the OPLS force field, and his work on free-energy perturbation theory for modeling reactions in solution, protein-ligand binding, and drug design; he has over 400 publications in the field. Jorgensen has been the Editor of the ACS Journal of Chemical Theory and Computation since its founding in 2005.
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Computational Chemists
His ongoing research interests have centered on the development of new NMR methods for the characterization of impurities and degradants of pharmaceuticals focusing on the exploration of new NMR probe technologies for the characterization of extremely small samples using heteronuclear 2D-NMR methods. His interests in this area were pivotal in the development of 3 mm and 1.7 mm probe technologies and he was also an early proponent of cryogenic probe capabilities., He has had a long-standing interest in heteronuclear NMR and 2D long-range heteronuclear shift correlation in particular. He was among the first to exploit natural abundance long-range 1H-15N heteronuclear shift correlation experiments, those early reports leading to hundreds of published reports that are the subject of multiple reviews and chapters., More recently, his research interests have also led to the development of unsymmetrical indirect covariance NMR processing methods that have the potential for significant spectrometer time savings when experimental access to hyphenated 2D NMR. These methods also provide access to 13C-15N Heteronuclear Single Quantum Coherence-Heteronuclear Multiple Bond Coherence (HSQC-HMBC) correlation data that are experimentally inaccessible at natural abundance, and to HSQC-ADEQUATE correlation plots that allow carbon-carbon connectivity networks of molecules to be mapped without having to resort to the highly insensitive 13C-13C INADEQUATE experiment. In recent years Martin has extended his work into the application of residual dipolar couplings, residual chemical shift anisotropy and DFT calculations to demonstrate that, in combination, some of the most complex chemical structures could be elucidated and making unambiguous assignment essentially difficult or impossible.
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Spectroscopists
Vignale is known for his contributions to density functional theory. In 1987 he formulated, in collaboration with Mark Rasolt, the current density functional theory for electronic systems in the presence of a static magnetic field. In 1996 he developed, with Walter Kohn (Nobel Laureate in Chemistry, 1998), the time-dependent current density functional theory for electronic systems subjected to time-dependent electromagnetic fields. He is also known for his contributions to spintronics: in 2000, with Irene DAmico, he introduced the concept of spin Coulomb drag (experimentally observed in 2005). In 2003 he proposed, with Michael E. Flatte of the University of Iowa, the theoretical concept for a unipolar spin diode and a unipolar spin transistor. Vignale is co-author (with Gabriele F. Giuliani) of a monograph on the quantum electron liquid, which is used by students and researchers for reference and self-study. In 2011 he published a non-technical book "The Beautiful Invisible - Creativity, imagination, and theoretical physics", which presents theoretical physics as a form of art. In the introduction to this book he writes “A good scientific theory is like a symbolic tale, an allegory of reality. Its characters are abstractions that may not exist in reality; yet they give us a way of thinking more deeply about reality. Like a fine work of art, the theory creates its own world: it transforms reality into something else – an illusion perhaps, but an illusion that has more value than the literal fact.”
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Computational Chemists
Wolfgang Stahl (1 April 1956 in Kiel – 28 August 2020 in Aachen) was a German spectroscopist. He was a professor at the RWTH Aachen University.
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Spectroscopists
Together with his Ph.D. student Hung Tung Tran Prof. Rode developed the practical and flexible visualization software [https://web.archive.org/web/20140714145409/http://www.theochem.at/molvision/ Molvision®] capable of interactively analyzing dynamic simulation data. In 2003 Dr. Tran was awarded with a European Innovation Award for the development of this program.
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Computational Chemists
* 2016 William F. Meggers Award in Spectroscopy *2016 Herty Medal * 2008 Fellow of the American Physical Society * 2001 MacArthur Fellows Program * 1999 Coblentz Award * 1998 Camille Dreyfus Teacher Scholar
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Spectroscopists
Kenneth M. Merz Jr. is an American biochemist and molecular biologist currently the Joseph Zichis Chair and a distinguished university professor at Michigan State University and editor-in-chief of American Chemical Societys Journal of Chemical Information and Modeling'. A highly cited expert in his field, his research interests are in computational chemistry and biology and computer-aided drug design (CADD). His group has been involved in developing the widely using AMBER suite of programs for simulating chemical and biological systems and the QUICK program for quantum chemical calculations.
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Computational Chemists
Dayhoffs Atlas became a template for many indispensable tools in large portions of DNA or protein-related biomedical research. In spite of this significant contribution, Dayhoff was marginalized by the community of sequencers. The contract to manage GenBank (a technology directly related to her research), awarded in the early 1980s by the NIH, went to Walter Goad at the Los Alamos National Laboratory. The reason for this attitude was unknown, with theories ranging from sexism to a clash of values with the experimental science community. Despite the success of Dayhoffs Atlas, experimental scientists and researchers considered their sequence information very valuable and were often reluctant to submit it to such a publicly available database. During the last few years of her life, she focused on obtaining stable, adequate, long-term funding to support the maintenance and further development of her Protein Information Resource. She envisioned an online system of computer programs and databases, accessible by scientists all over the world, for identifying protein from sequence or amino acid composition data, for making predictions based on sequences, and for browsing the known information. Less than a week before she died, she submitted a proposal to the Division of Research Resources at NIH for a Protein Identification Resource. After her death, her colleagues worked to make her vision a reality, and the protein database was fully operational by the middle of 1984. Dayhoff died of a heart attack at the age of 57 on February 5, 1983. A fund was established after her death in 1984 to endow the Margaret O. Dayhoff Award, one of the top national honors in biophysics. The award is presented to a woman who "holds very high promise or has achieved prominence while developing the early stages of a career in biophysical research within the purview and interest of the Biophysical Society." It is presented at the annual meeting of the Biophysical Society and includes an honorarium of $2,000. She was survived by her husband, Edward S. Dayhoff of Silver Spring; two daughters, Ruth E. Dayhoff Brannigan of College Park, and Judith E. Dayhoff of Silver Spring, and her father, Kenneth W. Oakley of Silver Spring. Her seminal contributions as the mother of the science of bioinformatics, now routinely used as part of the process for naming bacteria, were acknowledged with a bacterium being named after her in 2020, Enemella dayhoffiae.
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Computational Chemists
Ljubov A. Rebane (née Chagalova) (September 6, 1929 Leningrad – June 13, 1991 Tallinn) was an Estonian physicist. She graduated from Leningrad University in 1952 and received a PhD in Physics and Mathematics in 1961 from the same university. She received the USSR State Prize (Russian: Госуда́рственная пре́мия СССР) in 1986, together with Rein Avarmaa, Anšel Gorohhovski, Roman Personov, Boris Harlamov, Jevgeni Alšits, Ljudmila Bõkovskaja, Vladimir Maslov, Jaak Kikas and Konstantin Solovjov, for the cycle of articles "High-spectral-resolution spectroscopy and for the persistent spectral hole burning of molecules and solids" (Russian: Авармаа, Рейн Арнольдович, зав. сектором, Гороховский, Аншель Александрович, Кикас, Яак Вернерович, ст. н. с., Альшиц, Евгений Иосифович, Быковская, Людмила Анатольевна, мл. н. с. Института физики АН ЭССР; Маслов, Владимир Григорьевич, ст. н. с. ГОИ имени С. И. Вавилова; Ребане, Любовь Александровна, ст. н. с. ИХБФАН ЭССР; Соловьёв, Константин Николаевич, зав. лабораторией Института физики АН БССР, — за цикл работ «Фотовыжигание стабильных спектральных провалов и гелективная спектроскопия сложных молекул» (1972—1984)).
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Spectroscopists
Hammes-Schiffer is a Fellow of the American Physical Society (2010), the American Chemical Society (2011), the American Academy of Arts and Sciences (2012), the American Association for the Advancement of Science (2013), the National Academy of Sciences (2013), and the Biophysical Society (2015). She was elected as a member of the International Academy of Quantum Molecular Science in 2014. Hammes-Schiffer has received a number of awards, including the following: * 1996, Faculty Early Career Development (CAREER) Award, National Science Foundation (NSF), for her work on "The Incorporation of Quantum Effects in the Simulation of Proton Transfer Reactions" * 2005, Iota Sigma Pi Agnes Fay Morgan Research Award * 2005, International Academy of Quantum Molecular Science Medal * 2008, American Chemical Society Akron Section Award * 2011, "Method to Extend Research in Time" (MERIT) award, National Institutes of Health (NIH), a 10-year research grant to support her work * 2020, Bourke Award of the Royal Society of Chemistry *2021, American Chemical Society Award in Theoretical Chemistry *2021, Willard Gibbs Medal Award from American Chemical Society Chicago Section
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Computational Chemists
Raman was honoured with many honorary doctorates and memberships of scientific societies. Within India, apart from being the founder and President of the Indian Academy of Sciences (FASc), he was a Fellow of the Asiatic Society of Bengal (FASB), and from 1943, a Foundation Fellow of the Indian Association for the Cultivation of Science (FIAS). In 1935, he was appointed a Foundation Fellow of the National Institute of Sciences of India (FNI, now the Indian National Science Academy. He was a member of the Deutsche Akademie of Munich, the Swiss Physical Society of Zürich, the Royal Philosophical Society of Glasgow, the Royal Irish Academy, the Hungarian Academy of Sciences, the Academy of Sciences of the USSR, the Optical Society of America, the Mineralogical Society of America, the Romanian Academy of Sciences, the Catgut Acoustical Society of America and the Czechoslovak Academy of Sciences. In 1924, he was elected a Fellow of the Royal Society. However, he resigned from the fellowship in 1968 for unrecorded reasons, the only Indian FRS ever to do so. He was the President of the 16th session of the Indian Science Congress in 1929. He was the founder President of the Indian Academy of Sciences from 1933 until his death. He was member of the Pontifical Academy of Sciences in 1961.
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Spectroscopists
Johanna Maria "Hanneke" Jansen is a computational chemist working at Novartis on multiple drug targets. She previously worked at Astra and at Chiron Corporation.
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Computational Chemists
Berman was born in Chicago, Illinois, and grew up in Brooklyn, New York. Her father, David Bernstein, was a physician and her mother, Dorothy Bernstein (née Skupsky), managed her father's office practice. Inspired by her hard-working and scholarly father, she was interested in science as a young girl and planned to become a scientist or doctor. Her mother, who was strongly involved in the community and volunteer work, influenced her to be involved in community activities throughout her life. During high school, Berman worked in Ingrith Deyrup's laboratory at Barnard College. Deyrup encouraged Berman to attend Barnard as an undergraduate. While at college, she worked in a Columbia University College of Physicians and Surgeons laboratory with Barbara Low. There, Berman learned about crystallography, which would become a lifelong passion. She graduated from Barnard with an A.B. in chemistry in 1964. Following college, Berman attended the University of Pittsburgh for graduate school, a place she selected because it was the only place in the country with a crystallography department, and one of the few where crystallography was offered as a subject. There she worked with George A. Jeffrey on carbohydrate structure, receiving her Ph.D. in 1967. Berman remained at the University of Pittsburgh for two more years as a postdoctoral research fellow.
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Computational Chemists
Noor Muhammad Butt (Urdu: نور محمد بٹ); b. 3 June 1936), , also known as N. M. Butt, is a Pakistani nuclear physicist and professor of physics at the Preston University who is known for his research publications in understanding the gamma-rays burst, Mössbauer effect, diffraction, later the nanotechnology. Besides teaching courses in topics involving the modern physics, his career has spent working in branches of physics at the national laboratory in Nilore and has authored several college textbooks in physics based on his research, and presently serving as the chairman of the Institute of Nano Science and Technology at the Preston University.
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Spectroscopists
The Thomas E. Nevin Medal and Prize is given annually, in honour of Nevin, to the graduate who passes with first-class honours and is placed first in the BSc (Honours) degree examination in Physics, at the University College Dublin..
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Spectroscopists
During his career he worked in the United States for the National Bureau of Standards, the Ballistic Missile Defense Advanced Technology Center, and on the campuses of SUNY Albany, University of Mississippi, University of Illinois, UC Santa Barbara, The Pennsylvania State University and Auburn University. He also served on the publication committee of the magazine Computer while at Pennsylvania State University.
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Computational Chemists
August Hagenbach (22 December 1871 – 11 August 1955) was a Swiss physicist working in spectroscopy. He was the son of physicist Eduard Hagenbach-Bischoff and obtained his Ph.D. in 1894 at the University of Leipzig with a thesis titled "" under the supervision of Gustav Heinrich Wiedemann. In 1906 he took over the chaired professorship at the University of Basel earlier held by his father. In 1926 he was rector of the University of Basel. One of his students was Ernst Stueckelberg.
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Spectroscopists
Antony Williams was born in St Asaph, Wales, June 1964 to Ernest Edward Williams, owner of a building contracting firm, and Eirlys Elizabeth Williams. He has one older sister, Rae. He grew up in a small village near Caerwys. Williams attended Primary School in both Holywell and Nannerch until 1975. From the age of eleven, he attended Alun School where he received A-levels in mathematics, geography, and chemistry. Williams earned his Bachelor of Science in chemistry from the University of Liverpool, in 1985, writing an undergraduate dissertation on "Spectroscopic Studies of Vitamin E Related Systems" where he applied both electron paramagnetic resonance (EPR) and Nuclear magnetic resonance spectroscopy (NMR) to the study of molecules similar in structure to Vitamin E. Williams earned his Ph.D. in chemistry, funded by Royal Dutch Shell, from Royal Holloway, University of London in 1988 and wrote a thesis entitled "High pressure NMR and relaxation studies of alkyl chain systems". He won the Bourne Medal from the University of London for this work and developed a unifying theory for modeling NMR relaxation data to examine the molecular motions of alkyl chains. He also used the Cobalt-59 NMR chemical shift for cobalt (III) hexacyanide as both a temperature and pressure probe. During his PhD he developed an interest in personal computers and wrote software programs to fit NMR relaxation data. Williams continued his work in spectroscopy at the National Research Council (Canada) using EPR spectroscopy to perform single-crystal studies of organometallics compounds.
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Computational Chemists
Victor Franz Hess (; 24 June 188317 December 1964) was an Austrian-American physicist, and Nobel laureate in physics, who discovered cosmic rays.
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Spectroscopists
Between 1856 and 1872, Browning acquired provisional patents for designs of numerous scientific instruments. He was also the recipient of an award at the 1862 International Exhibition held in London. He was recognised for his temperature-compensated aneroid barometer. Browning's scientific instruments were used in physics, chemistry, and biology. The products he designed and manufactured included spectroscopes, telescopes, microscopes, barometers, photometers, cameras, ophthalmoscopes, and electrical equipment such as electric lamps. John Browning installed the first electric light in London, the occasion being a banquet to honour the Shah of Persia during his visit to Queen Victoria. The location was the Guildhall, which has been used as a town hall in the City of London for hundreds of years and continues to be the home of the City of London Corporation. One light, run with Bunsen cells, was positioned outside each window, due to the fumes. The operating cost of each light was £3 per hour. Naser al-Din Shah Qajar was the Shah of Persia during the second half of the nineteenth century. During his reign, he toured Europe three times, in 1873, 1878, and 1889. It was during the 1873 trip that the mayor and the Corporation of the City of London gave a banquet in the Shahs honour. Prime Minister William Ewart Gladstone arranged for the queen to entertain the Shah during the 1873 visit. Queen Victoria did not attend the banquet of 20 June 1873, which was primarily a business occasion. The elaborate preparations for the banquet included not only the costly lighting scheme, but also a gilded, illustrated menu (pictured)'.
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Spectroscopists
Both Wood and Pfund left Wisconsin for Johns Hopkins University in 1903. From 1903 to 1905 Pfund was a Carnegie research assistant and continued to work under Wood. In 1906 Pfund earned his Ph.D. in physics and was a Johnston scholar from 1907 to 1909. He remained at Hopkins for the remainder of his career, eventually becoming a full professor and later chair of the physics department. From 1943 to 1944 Pfund served as the president of the Optical Society of America. Within the hydrogen spectral series Pfund discovered the fifth series, where an electron jumps up from or drops down to the fifth fundamental level. This Series is known as the "Pfund series". He also invented the Pfund telescope, which is a method for achieving a fixed telescope focal point regardless of where the telescope line of sight is positioned, and the Pfund sky compass, which arose from Pfunds studies of the polarization of scattered light from the sky in 1944, and which greatly helped transpolar flights by allowing the determination of the Suns direction in twilight. Pfund is also noted for his work into the area of infrared gas analysis.
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Spectroscopists
Zare joined Massachusetts Institute of Technology as an assistant professor in 1965. From 1966 to 1969, he was jointly appointed in the departments of chemistry, physics and astrophysics at JILA at the University of Colorado Boulder. In 1969 he became a full professor in the department of chemistry at Columbia University. He was named the Higgins Professor of Natural Science at Columbia in 1975. In 1977 Zare accepted a position as a full professor of chemistry at Stanford University, becoming the Marguerite Blake Wilbur Professor in Natural Science in 1987. He served as chair of the chemistry department from 2005 to 2011. Zare served on the National Science Board (NSB) of the National Science Foundation (NSF) from 1990 to 1996, and was the board's chair from 1994 to 1996. He was a founding co-editor of the Annual Review of Analytical Chemistry from 2008–2012. He is a member of the editorial advisory boards of other scientific publications, among them Chemistry World, Angewandte Chemie, Central European Journal of Chemistry, Journal of Separation Sciences and the Chinese Journal of Chromatography. Zare served on the Physical Sciences jury for the Infosys Prize from 2014 to 2016. He is chairman of the board of directors at Annual Reviews, Inc., and serves on the board of directors of The Camille and Henry Dreyfus Foundation.
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Spectroscopists
In 1991, Williams joined Ottawa University as their NMR Facility Manager. He continued his personal interests in multinuclear NMR to perform 2D-NMR experiments examining Selenium exchange in mixed-halogen systems. He also performed Silicon-29 and Tellurium-125 NMR studies. In 1992 Williams left Canada for Rochester, NY to work for the Eastman Kodak Company as their NMR Technology Leader. At Kodak he used his previous experience in studying alkyl chain related systems to study micelles. He was involved in the early adoption of Liquid Chromatography-NMR into the company and in the development of an Open Access laboratory for chemists to use roboticized analytical instrumentation to generate data. At Kodak he was part of a three-member team that developed a web-based Laboratory information management system (LIMS) system called WIMS, the Web-based Information Management System and it was the first web-based LIMS system in the world to manage chemical structures and spectral data. He was granted two patents while at Kodak, In 1997 he started work for a Canadian start-up company, Advanced Chemistry Development (ACD/Labs) as their senior product manager. He was responsible for managing all spectroscopy, structure drawing and IUPAC nomenclature, products. While in that role the analytical data management software was expanded to include support for mass spectrometry, infrared spectroscopy, UV-Vis spectroscopy, chromatography and other forms of analytical sciences. His research interests at that time include the development of algorithms for NMR prediction ( and) and, specifically, development of software approaches to Computer Assisted structure Elucidation, so-called CASE systems. The CASE tools have been used for the purpose of structure revision whereby algorithms have been demonstrated to outperform human interpretation of spectral data. While at ACD/Labs Williams was involved in a number of industry firsts including # producing a chemical dictionary on a Palm Computer and Pocket PC, # working with Gary E. Martin and other colleagues to develop new NMR processing techniques using covariance-based approaches, # the introduction of fuzzy-logic based approaches to computer-assisted structure elucidation and 4) Approaches for automated structure verification. While at the company he initiated a hobby project to link together chemistry databases on the web. This project was called ChemSpider. ChemSpider was formally announced at the Chicago ACS meeting in March 2007 with a database containing over 10 million compounds sourced from PubChem. In 2007 when he left ACD/Labs he was the Chief Science Officer. He became an independent consultant working with a number of software companies in the cheminformatics domain, such as SimBioSys, and with research organizations to support their cheminformatics efforts. In parallel he continued to develop the ChemSpider platform with a small group of like-minded individuals interested in the development of web-based systems to serve chemists The site is a crowdsourced community for chemistry with chemists depositing their structure collections, spectral data and molecular properties. Williams is focused on educating the community as to the issues of data quality associated with internet chemistry databases. In May 2009 the Royal Society of Chemistry announced that it had acquired ChemSpider. Williams joined RSC as their Vice President of Strategic Development for ChemSpider. In May 2015 he joined the United States Environmental Protection Agency to work on the development of websites delivering public access to EPA data and tools for mass spectrometry. Williams has contributed to the world of "Mobile Chemistry" by contributing to the development of ChemMobi, an iPhone app for accessing millions of chemical compounds and associated data. Williams is an advocate for Open Notebook Science and is a judge for the Open Notebook Science Challenge. He worked with Jean-Claude Bradley to deliver a web-based game for teaching the interpretation of spectral data utilizing crowdsourced spectroscopy data deposited onto ChemSpider.
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Computational Chemists
Talbot was one of the earliest researchers into the field of spectral analysis. He showed that the spectrum of each of the chemical elements was unique and that it was possible to identify the chemical elements from their spectra. Such analysis was to become important in examining the light from distant stars, and hence inferring their atomic composition. He also investigated the polarization of light using tourmaline crystals and iceland spar or calcite crystals, and pioneered the design and use of the polarizing microscope, now widely used by geologists for examining thin rock sections to identify minerals within them. Talbot allowed free use of the calotype process for scientific applications, and he himself published the first known photomicrograph of a mineral crystal. Another photomicrograph shows insect wings as seen in the "solar microscope" he and others developed for projecting images onto a large screen of tiny objects using sunlight as a light source. The large projections could then be photographed by exposure to sensitized paper. He studied the diffraction of light using gratings and discovered a new phenomenon, now known as the Talbot effect. Talbot was very keen on applying the calotype method to recording natural phenomena, such as plants for example, as well as buildings and landscapes. The calotype technique was offered free by Talbot for scientific and amateur use. He was aware that the visible spectrum comprised a very small part of what we now know as electromagnetic radiation, and that powerful and invisible light beyond the violet was capable of inducing chemical effects, a type of radiation we now call ultra-violet radiation.
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Spectroscopists
*Debye shielding – In plasmas, semiconductors and electrolytes, the process by which a fixed electric charge is shielded by redistributing mobile charged particles around it. *Debye length – The typical distance in a plasma required for full Debye shielding. *Debye model – A model of the heat capacity of solids as a function of temperature *Debye – a unit of electric dipole moment *Debye frequency – a characteristic vibrational frequency of a crystalline lattice. *Debye relaxation – The dielectric relaxation response of an ideal, noninteracting population of dipoles to an alternating external electric field. *Debye sheath – The non-neutral layer, several Debye lengths thick, where a plasma contacts a material surface. *Debye–Hückel equation – A method of calculating activity coefficients *Debye function – A function used in the calculation of heat capacity. *Debye–Scherrer method – A technique used in X-ray powder diffraction. *Debye–Waller factor – A measure of disorder in a crystal lattice. *30852 Debye – A minor planet (originally named 1991 TR6). *Lorenz–Mie–Debye theory Theory of light scattering by a spherical particle. *Debye (crater) – A lunar crater located on the far side and in the northern hemisphere of the moon.
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Spectroscopists
In 1976, he was elected as a fellow to the American Physical Society. In 1994, he won both the Bomem-Michelson Prize for Spectroscopy and the Lippincott Award for Vibrational Spectroscopy. In 2003 he received the Berkeley Citation and Berkeley Faculty Service Award.
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Spectroscopists
The physical constant known as the Rydberg constant is named after him, as is the Rydberg unit. Excited atoms with very high values of the principal quantum number, represented by n in the Rydberg formula, are called Rydberg atoms. Rydberg's anticipation that spectral studies could assist in a theoretical understanding of the atom and its chemical properties was justified in 1913 by the work of Niels Bohr (see hydrogen spectrum). An important spectroscopic constant based on a hypothetical atom of infinite mass is called the Rydberg (R) in his honour.
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Spectroscopists