Ewine Fleur van Dishoeck is a Dutch astronomer and chemist. She is Professor of Molecular Astrophysics at Leiden Observatory, and served as the President of the International Astronomical Union (2018–2021) and a co-editor of the Annual Review of Astronomy and Astrophysics (2012–present). She is one of the pioneers of astrochemistry, and her research is aimed at determination of the structure of cosmic objects using their molecular spectra.
Roy McWeeny was a British academic physicist and chemist.
Henry Frederick "Fritz" Schaefer III is an American computational, physical, and theoretical chemist. He is one of the most highly cited chemists in the world, with a Thomson Reuters h-index of 121 as of 2020.
Anna Igorevna Krylov is the USC Associates Chair in Natural Sciences and Professor of Chemistry at the University of Southern California (USC). Working in the field of theoretical and computational quantum chemistry, she is the inventor of the spin-flip method. Krylov is the president of Q-Chem, Inc. and an elected member of the International Academy of Quantum Molecular Science, the Academia Europaea, and the American Academy of Sciences and Letters.
Joshua Jortner is an Israeli physical chemist. He is a professor emeritus at the School of Chemistry, The Sackler Faculty of Exact Sciences, Tel Aviv University in Tel Aviv, Israel.
William Hughes Miller is an American professor at the University of California, Berkeley and a leading researcher in the field of theoretical chemistry.
Journal of Chemical Theory and Computation is a peer-reviewed scientific journal, established in 2005 by the American Chemical Society. It is indexed in Chemical Abstracts Service (CAS), Scopus, British Library, and Web of Science. The current editor-in-chief is Laura Gagliardi. Currently as of the year 2022, JCTC has 18 volumes.
Angela K. Wilson is an American scientist and former (2022) President of the American Chemical Society. She currently serves as the John A. Hannah Distinguished Professor of Chemistry, associate dean for strategic initiatives in the College of Natural Sciences, and director of the MSU Center for Quantum Computing, Science, and Engineering (MSU-Q) at Michigan State University.
Sir John Shipley Rowlinson was a British chemist. He attended Oxford University, where he completed his undergraduate studies in 1948 and doctoral in 1950. He then became research associate at University of Wisconsin (1950–1951), lecturer at University of Manchester (1951–1961), Professor at Imperial College London (1961–1973) and back at Oxford from 1974 to his retirement in 1993.
Frank Neese is a German theoretical chemist at the Max Planck Institute for Coal Research. He is the author of more than 440 scientific articles in journals of Chemistry, Biochemistry and Physics. His work focuses on the theory of magnetic spectroscopies and their experimental and theoretical application, local pair natural orbital correlation theories, spectroscopy oriented configuration interaction, electronic and geometric structure and reactivity of transition metal complexes and metalloenzymes. He is lead author of the ORCA quantum chemistry computer program. His methods have been applied to a range of problems in coordination chemistry, homogeneous catalysis, and bioinorganic chemistry.
Sir Peter George Bruce, is a British chemist, and Wolfson Professor of Materials in the Department of Materials at the University of Oxford. Between 2018 and 2023, he served as Physical Secretary and Vice President of the Royal Society. Bruce is a founder and Chief Scientist of the Faraday Institution.
Donald Gene Truhlar is an American scientist working in theoretical and computational chemistry and chemical physics with special emphases on quantum mechanics and chemical dynamics.
Marsha Isack Lester is an American physical chemist. She is currently the Edmund J. Kahn Distinguished Professor of Chemistry at the University of Pennsylvania. Lester uses both theoretical and experimental methods to study the physical chemistry of volatile organic compounds present in the Earth's atmosphere. Her current work focuses on the hydroxyl radical and Criegee intermediates.
Geraldine Lee Richmond is an American chemist and physical chemist who is serving as the Under Secretary of Energy for Science in the US Department of Energy. Richmond was unanimously confirmed by the United States Senate to her role on November 5, 2021. In this position, she oversees the Office of Science, the Applied Energy offices, and 13 of the 17 Department of Energy national laboratories. Before this appointment, Richmond served as a Professor of Physical Chemistry and held the Presidential Chair in Science at the University of Oregon. Her research has focused on understanding the chemistry and physics of complex surfaces and interfaces, using laser-based experimental and theoretical computational methods. These understandings are most relevant to energy production, atmospheric chemistry and remediation of the environment. Throughout her career she has also worked to increase the number and success of women scientists in the U.S. and in many developing countries through the COACh program that she founded in 1999. She is a member of the National Academy of Sciences and the American Academy of Arts and Sciences. In recognition of her scientific achievements and contributions to women in science, she received the National Medal of Science from President Obama in 2013.
Emily A. Carter is the Gerhard R. Andlinger Professor in Energy and the Environment and a professor of Mechanical and Aerospace Engineering (MAE), the Andlinger Center for Energy and the Environment (ACEE), and Applied and Computational Mathematics at Princeton University. She is also a member of the executive management team at the Princeton Plasma Physics Laboratory (PPPL), serving as Senior Strategic Advisor and Associate Laboratory Director for Applied Materials and Sustainability Sciences.
Jayaraman Chandrasekhar is an Indian computational chemist and a former professor at the department of organic chemistry of the Indian Institute of Science. He is known for his studies on the structure and bonding of organic molecules and is an elected fellow of Indian National Science Academy, and the Indian Academy of Sciences The Council of Scientific and Industrial Research, the apex agency of the Government of India for scientific research, awarded him the Shanti Swarup Bhatnagar Prize for Science and Technology, one of the highest Indian science awards, in 1995, for his contributions to chemical sciences.
Giulia Galli is a condensed-matter physicist. She is the Liew Family Professor of Electronic Structure and Simulations in the Pritzker School of Molecular Engineering and the department of chemistry at the University of Chicago and senior scientist at Argonne National Laboratory. She is also the director of the Midwest Integrated Center for Computational Materials. She is recognized for her contributions to the fields of computational condensed-matter, materials science, and nanoscience, most notably first principles simulations of materials and liquids, in particular materials for energy, properties of water, and excited state phenomena.
Stefan Grimme, is a German physical chemist. He completed a Ph.D. thesis on photochemistry at Technical University of Braunschweig in 1991, and has been a professor at the Universität Bonn since 2011. Grimme is active in the field of computational chemistry and was elected a member of the Academy of Sciences Leopoldina in 2018.
James L. Skinner is an American theoretical chemist. He is the Joseph O. and Elizabeth S. Hirschfelder Professor Emeritus at the University Wisconsin-Madison. Until 2024 he was a member of the Scientific Advisory Board of the Welch Foundation. Until 2020, Skinner was the Crown Family Professor of Molecular Engineering, professor of chemistry, director of the Water Research Initiative and deputy dean for faculty affairs of the Pritzker School of Molecular Engineering at the University of Chicago. Skinner is recognized for his contributions to the fields of theoretical chemistry, nonequilibrium statistical mechanics, linear and nonlinear spectroscopy of liquids, amorphous and crystalline solids, surfaces, proteins, and supercritical fluids. Skinner is the co-author of over 230 peer-reviewed research articles.
Clémence Corminboeuf is a Swiss chemist who is Professor of Computational chemistry at the École Polytechnique Fédérale de Lausanne. She was awarded the Swiss Chemical Society 2021 Heilbronner-Hückel Award.
