Computational chemists

Olson received her bachelor's degree in Chemistry at the University of Delaware in 1967, with honors and distinction.

Richard A. Friesner is an American theoretical chemist and Professor of Chemistry at Columbia University.

Ahmet Turgay Uzer is a Turkish-American theoretical physicist.

Werner Kutzelnigg, born on September 10, 1933 in Vienna, Austria, is a prominent theoretical chemist.

Robert Ghormley Parr (born September 22, 1921 in Chicago) is a theoretical chemist.

Charusita Chakravarty (1964 - 2016) was an Indian academic and scientist.

Yitzhak Apeloig (born September 1, 1944 in Uzbekistan) is a pioneer in the computational chemistry field of the Ab initio quantum chemistry methods for predicting and preparing the physical and chemical properties of materials.

Włodzimierz Kołos (6 September 1928 – 3 June 1996) - Polish chemist and physicist who was one of the founders of modern quantum chemistry, and pioneered accurate calculations on the electronic structure of molecules.

Milan Randić (born 1930) is a Croatian American scientist who is one of the leading experts in the field of computational chemistry.

Piotr Piecuch (born January 21, 1960) is a Polish-born American physical chemist.

Lai-Sheng Wang (simplified Chinese: 王来生; traditional Chinese: 王來生; pinyin: wang laisheng, born 1961 in Henan, China) is an experimental physical chemist currently teaching at Brown University.

James R. Chelikowsky is a professor of physics, chemical engineering, chemistry and biochemistry at The University of Texas at Austin.

Marc Zimmer (born July 26, 1961) is the Dean of Studies and the Jean Tempel '65 Professor of Professor of Chemistry at Connecticut College.

Saraswathi Vishveshwara is an Indian biophysicist with specialization in the area of Molecular Biophysics.

Amiram Goldblum (Hebrew: עמירם גולדבלום‎‎; born 22 December 1945) is an Israeli chemist and activist in the Israeli–Palestinian conflict.

Paul Alexander Desmond DeMaine (October 11, 1924 – May 13, 1999) was a leading figure in the early development of computer based automatic indexing and information retrieval and one of the founders of academic computer science in the 1960s.

Helmut Schwarz (born 6 August 1943) is a highly cited German organic chemist.

John Stewart Waugh (April 25, 1929 – August 22, 2014) was an American chemist and Institute Professor at the Massachusetts Institute of Technology.

Professor Dominic Tildesley (born 1952, Forest Hill) is a British chemist.

Yvonne Connolly Martin (born September 13, 1936) is an American cheminformatics and computer-aided drug design expert who rose to the rank of Senior Volwiler Research Fellow at Abbott Laboratories (now AbbVie).

Zaida Ann "Zan" Luthey-Schulten is the William and Janet Lycan Professor of Chemistry at the University of Illinois at Urbana-Champaign, where she leads the Luthey-Schulten Group.

Mark S. Gordon is a professor of chemistry at Iowa State University, and Ames Laboratory working in the area of computational quantum chemistry.

Garikapati Narahari Sastry (Telugu: గరికపాటి నరహరి శాస్త్రి) is an Indian chemist.

Sigrid Doris Peyerimhoff (born January 12, 1937, in Rottweil) is a theoretical chemist and Emeritus Professor at the Institute of Physical and Theoretical Chemistry, University of Bonn, Germany.

Professor Nils Gunnar Hansson von Heijne, born June 10, 1951 in Gothenburg, is a Swedish scientist working on signal peptides, membrane proteins and bioinformatics at the Stockholm Center for Biomembrane Research at Stockholm University.

Jur P. van den Berg (born 1981 in Groningen, Netherlands) is an assistant professor at the University of Utah.

Helen Miriam Berman is a Board of Governors Professor of Chemistry and Chemical Biology at Rutgers University and a former director of the RCSB Protein Data Bank (one of the member organizations of the Worldwide Protein Data Bank).

Henryk Witek is a chemist of Polish origin, and is a Professor of Chemistry in the National Chiao Tung University, Hsinchu, Taiwan.

W. Clark Still (born 1946) is an American organic chemist.

Dr. Agnar Höskuldsson (born 1939) is a Danish scientist who specializes in the field of chemometrics.

Michelle Louise Coote FRSC FAA is an Australian polymer chemist.

Professor Jennifer L.

Born on February 27, 1930 in Cleveland, Ohio, Schleyer graduated as the Valedictorian from his class at Cleveland West Technical High School in 1947.

(Samuel) Francis (Frank) Boys FRS (20 December 1911 – 16 October 1972) was a British theoretical chemist.

Klaus Schulten is a German American computational biophysicist and the Swanlund Professor of Physics at the University of Illinois at Urbana-Champaign.

Professor Robert Paton won the 2015 Harrison-Meldola Memorial Prize awarded by the Royal Society of Chemistry.

Amnon Albeck (Hebrew: אמנון אלבק) is an organic and bioorganic chemist.

Evert Jan Baerends (born 17 September 1945) is a Dutch theoretical chemist.

Shmaryahu Hoz (Hebrew: שמריהו הוז) (born 1945) is a Professor Emeritus specializing in physical organic chemistry and computational nanotechnology.

Kwang Soo Kim is a professor in chemistry, an adjunct professor in physics, and the director of Center for Superfunctional Materials (CSM), of Ulsan National Institute of Science and Technology (UNIST) in Korea.

Marta Filizola is the Dean of The Graduate School of Biomedical Sciences at the Icahn School of Medicine at Mount Sinai in New York City.

Gerhard F. Ecker is an Austrian medicinal chemist and expert in the fields of Pharmacoinformatics at the University of Vienna.

Lorenz Cederbaum (October 26, 1946, Braunschweig, Germany) is a German physical chemist.

Christopher A Lipinski is a medicinal chemist who has more than 34 years of experience working at Pfizer, Inc.

Mark Maroncelli (born December 1957) is an American chemist, currently serving as professor of chemistry at the Pennsylvania State University, where he also coordinates the Chemistry Department's undergraduate program.

Peter Pulay (Born September 20, 1941 in Veszprém, Hungary) is a theoretical chemist.

Yousef Saad is an I.

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.

Professor Henry S.

Tomaž (Tomo) Pisanski (born May 24, 1949 in Ljubljana, Slovenia) is a Slovenian mathematician working mainly in discrete mathematics and graph theory.

Robert J. Harrison (born June 19, 1960) is a distinguished expert in high-performance computing.

Dr. Robert J. LeRoy (born September 30, 1943 in Ottawa) is one of Canada’s leading chemists and is currently a University Professor at the University of Waterloo.

Rudolph Pariser (born December 8, 1923) is a physical and polymer chemist.

Hugh Christopher Longuet-Higgins FRS (April 11, 1923 – March 27, 2004) was both a theoretical chemist and a cognitive scientist.

Axel Dieter Becke (born June 10, 1953) is a physical chemist and Professor of Chemistry at Dalhousie University, Canada.

Hermann Hartmann (May 4, 1914 – October 22, 1984) was a German chemist and professor and researcher in physical and theoretical chemistry at the University of Frankfurt am Main.

Michael James Steuart Dewar (24 September 1918 – 10 October 1997) was a theoretical chemist born in Ahmednagar, India in 1918.

Nicholas Harrison FRSC FinstP is a British physicist and professor of Computational Materials Science at Imperial College London.

Lu Jeu, Sham (Chinese: 沈呂九) (born April 28, 1938) is a Chinese physicist.

Henry "Fritz" Schaefer III (born June 8, 1944) is a computational and theoretical chemist.

Ernest R. Davidson, born October 12, 1936 in Terre Haute, Indiana, is Professor of Chemistry, University of Washington, Seattle, WA, US.

Anders Hallberg (born 29 April 1945 in Vetlanda) is a Swedish chemist who was rector magnificus of Uppsala University from July 2006 until December 2011.

Eiji Osawa (大沢 映二 Ōsawa Eiji, born June 6, 1935 in Toyama, Japan), is a professor of computational chemistry, and noted for his prediction of the C60 molecule in 1970.

Chris Sander is a computational biologist and chair of the Computational Biology Programme at the Memorial Sloan–Kettering Cancer Center in New York City.

Donald G. Truhlar is an American scientist working in computational quantum and theoretical chemistry, chemical physics.

Marshall Fixman (died February 27, 2016) was an American physical chemist, University Distinguished Professor Emeritus at Colorado State University, and a member of the U.

Martin Gruebele (born January 10, 1964 in Stuttgart, Germany) is a German-born American physical chemist and biophysicist who is currently James R.

Martin Philip Head-Gordon (né Martin Philip Head) is a professor of chemistry at the University of California, Berkeley, and Lawrence Berkeley National Laboratory working in the area of computational quantum chemistry.

Abraham Nitzan (Hebrew: אברהם ניצן, b. Tel Aviv, 1944) is a professor of Chemistry at the Tel Aviv University department of Chemical Physics and the University of Pennsylvania department of Chemistry.

Carlos Simmerling is a full Professor of Chemistry at the State University of New York at Stony Brook.

David Archer is a computational ocean chemist, and has been a professor at the Geophysical Sciences department at the University of Chicago since 1993.

David Elliot Shaw (born March 29, 1951) is an American computer scientist and computational biochemist who founded D.

David Lary (born 7 December 1965) is an atmospheric scientist interested in applying computational and information systems to facilitate discovery and decision support in Earth system science.

David Parker Craig AO, FRS, FAA, FRSN (23 December 1919 – 1 July 2015) was an Australian chemist who was Emeritus Professor at the Australian National University in Canberra, where he was the Foundation Professor of Physical and Theoretical Chemistry in the Research School of Chemistry.

Debashis Mukherjee is a theoretical chemist, well known for his research in the fields of molecular many body theory, theoretical spectroscopy, finite temperature non-perturbative many body theories.

José Elguero Bertolini (born 1934) is a Spanish chemist best known for his contributions to heterocyclic chemistry.

Jane Shelby Richardson (born January 25, 1941) is an American biophysicist who developed the Richardson diagram, or ribbon diagram, method of representing the 3D structure of proteins.

Santiago Schnell DPhil (Oxon) FRSC is a biophysical chemist and computational & mathematicalbiologist.