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Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation.
Coherent control is a quantum mechanics-based method for controlling dynamic processes by light. The basic principle is to control quantum interference phenomena, typically by shaping the phase of laser pulses. The basic ideas have proliferated, finding vast application in spectroscopy, mass spectra, quantum information processing, laser cooling, ultracold physics and more.
Martin Karplus was an Austrian and American theoretical chemist. He was the Theodore William Richards Professor of Chemistry at Harvard University. He was also the director of the Biophysical Chemistry Laboratory, a joint laboratory between the French National Center for Scientific Research and the University of Strasbourg, France. Karplus received the 2013 Nobel Prize in Chemistry, together with Michael Levitt and Arieh Warshel, for "the development of multiscale models for complex chemical systems".
Ronnie Kosloff is a professor of theoretical chemistry at the Institute of Chemistry and Fritz Haber Center for Molecular Dynamics, Hebrew University of Jerusalem, Israel.
Arieh Warshel is an Israeli-American biochemist and biophysicist. He is a pioneer in computational studies on functional properties of biological molecules, Distinguished Professor of Chemistry and Biochemistry, and holds the Dana and David Dornsife Chair in Chemistry at the University of Southern California. He received the 2013 Nobel Prize in Chemistry, together with Michael Levitt and Martin Karplus for "the development of multiscale models for complex chemical systems".
William Hughes Miller is an American professor at the University of California, Berkeley and a leading researcher in the field of theoretical chemistry.
Paul Bruce Corkum is a Canadian physicist specializing in attosecond physics and laser science. He holds a joint University of Ottawa–NRC chair in attosecond photonics. He also holds academic positions at Texas A&M University and the University of New Mexico. Corkum is both a theorist and an experimentalist. He is known for developing the theory of attosecond physics.
Moshe Shapiro was a chemist and physicist at the University of British Columbia.
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Path integral molecular dynamics (PIMD) is a method of incorporating quantum mechanics into molecular dynamics simulations using Feynman path integrals. In PIMD, one uses the Born–Oppenheimer approximation to separate the wavefunction into a nuclear part and an electronic part. The nuclei are treated quantum mechanically by mapping each quantum nucleus onto a classical system of several fictitious particles connected by springs governed by an effective Hamiltonian, which is derived from Feynman's path integral. The resulting classical system, although complex, can be solved relatively quickly. There are now a number of commonly used condensed matter computer simulation techniques that make use of the path integral formulation including centroid molecular dynamics (CMD), ring polymer molecular dynamics (RPMD), and the Feynman–Kleinert quasi-classical Wigner (FK–QCW) method. The same techniques are also used in path integral Monte Carlo (PIMC).
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Martin Quack is a German physical chemist and spectroscopist; he is a professor at ETH Zürich.
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- Propagation of nuclear dynamics through classical trajectories;
- Propagation of the electrons through quantum methods;
- A feedback algorithm between the electronic and nuclear subsystems to recover nonadiabatic information.
William H. Green Jr., is a Hoyt C. Hottel Professor of Chemical Engineering at the Massachusetts Institute of Technology, working in the field of chemical reaction engineering.
Tamar Seideman is the Dow Chemical Company Professor of Chemistry and Professor of Physics at Northwestern University. She specialises in coherence spectroscopies and coherent control in isolated molecules and dissipative media as well as in ultrafast nanoplasmonics, current-driven phenomena in nanoelectronics and mathematical models.
Debabrata Goswami FInstP FRSC, is an Indian chemist and the Prof. S. Sampath Chair Professor of Chemistry, at the Indian Institute of Technology Kanpur. He is also a professor of The Department of Chemistry and The Center for Lasers & Photonics at the same Institute. Goswami is an associate editor of the open-access journal Science Advances. He is also an Academic Editor for PLOS One and PeerJ Chemistry. He has contributed to the theory of Quantum Computing as well as nonlinear optical spectroscopy. His work is documented in more than 200 research publications. He is an elected Fellow of the Royal Society of Chemistry, Fellow of the Institute of Physics, the SPIE, and The Optical Society. He is also a Senior Member of the IEEE, has been awarded a Swarnajayanti Fellowship for Chemical Sciences, and has held a Wellcome Trust Senior Research Fellowship. He is the third Indian to be awarded the International Commission for Optics Galileo Galilei Medal for excellence in optics.
References
- 1 2 Segal, Dvira (February 2014). "A tribute to Paul Brumer". Canadian Journal of Chemistry. 92 (2): v. doi:10.1139/cjc-2014-0010.
- ↑ "APS Fellow Archive". American Physical Society. Retrieved 16 December 2022.
- ↑ "ONR-funded researcher wins Canada's highest academic honor" (Press release). Office of Naval Research. 7 May 2000. Archived from the original on 8 November 2004.
