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Theoretical chemistry uses mathematical and computational techniques and fundamental laws of physics to evaluate properties of matter that are of interest to Chemists and Chemical Physicists. It spans a great range of topics, from properties of small, isolated molecules and dynamics of elementary chemical processes, to reaction pathways of organic molecules, to hydrogen bonding patterns in liquids, to predictions of reaction rates of biologically important pathways. Theoretical chemistry provides ongoing experiments with new insights and allows one to study molecular systems in the absence of experiment. The breadth of theoretical chemistry is reflected in the interests of the Theoretical and Computational Chemistry Group (TCCG) at MSU.
If you have a background in chemistry and/or physics, and you enjoy pursuing science from a quantitative, mathematical or physical and computational perspective, we encourage you to apply to the MSU TCCG. Information about graduate studies in our Department can be found at http://www.chemistry.msu.edu/Graduate/graduate.asp (the preliminary application form). Undergraduates interested in learning about theoretical chemistry are strongly encouraged to contact us.
Our students and postdocs receive high-level training, which includes a deep understanding of fundamental chemical and physical laws and sophisticated mathematical and computational skills that can be used in natural sciences and outside science. We offer a broad range of graduate level courses in theoretical and computational chemistry, using the advanced techniques of statistical and quantum mechanics. We use a powerful 32-processor Origin 3400 from Silicon Graphics, with 24 GB RAM and almost 0.5 TB of the disk space, which has recently been installed in the departmental Supercomputer Facility, and several Silicon Graphics workstations installed in the MSU Chemical Visualization Facility. We also have access to a 30-processor SUN server housed in the MSU Computer Center. Individual TCCG group members are equipped with powerful computer systems, too (including a multi-processor Origin 2000 from Silicon Graphics in Professor P. Piecuch's group and numerous workstations in other groups).
The TCCG has strong interactions with other Chemistry and Physics faculty members that have resulted in numerous joint research projects. There are ample opportunities for interactions with other departments. For example, the Center for Fundamental Research (CFMR) is a campus center for materials research that spans Chemistry, Physics and Engineering. Professors R.I. Cukier and J.F. Harrison are members of the CFMR.
The TCCG brings in prominent scholars for extended stays at MSU. Some recent visitors include Professor M. Morillo from the Department of Physics, University of Seville, Sevilla, Spain (Professor Cukier's group), Professor V. Spirko from the J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic, and Professor A. Mavridis, Department of Chemistry, University of Athens, Athens, Greece. The TCCG members collaborate with scholars of the world caliber. Professor J.F. Harrison collaborates with Professor R.W. Field from MIT. Professors K.L.C. Hunt and P.M. Hunt collaborate with Professor J. Ross from Stanford University.
Professor P. Piecuch collaborates with Professors M.S. Gordon from the Iowa State University, S.A. Kucharski from the University of Silesia, D.J. Dean from Oak Ridge National Laboratory, M. Hjorth-Jensen from the University of Oslo, J.C. Polanyi from the University of Toronto, and D.G. Truhlar from the University of Minnesota. His collaboration with Professor M.S. Gordon and Dr. M.W. Schmidt focuses on the incorporation of the coupled-cluster methods and programs developed by the Piecuch group in the popular computational chemistry structure software package GAMESS. His collaboration with Professors D.J. Dean and M. Hjorth-Jensen focuses on the nuclear many-body problem.