U of M :: College of Liberal Arts :: Chemistry & Biochemistry :: Research & Teaching Faculty

Chemistry & Biochemistry
University of Mississippi
University, MS 38677
(662) 915-7301
(662) 915-7300 (fax)

Gregory Tschumper

Associate Professor

Contact Information

Office: 105 Coulter Hall
Phone: 662-915-5331
Email: tschumpr AT olemiss.edu

Educational and Professional Background

B.S., Winona State University, 1995
Ph.D., University of Georgia, 1999
Postdoctoral Fellow, ETH Zurich, Switzerland, 1999-2000
Postdoctoral Fellow, Emory University, 2000-2001
Assistant Professor, University of Mississippi, 2001-2007
Associate Professor, University of Mississippi, 2007-2013
Professor, University of Mississippi, 2013-present

Research Interests: physical chemistry, theoretical chemistry, computational chemistry, hydrogen bonding, van der Waals forces

Group Webpage

http://quantum.chem.olemiss.edu

Research Summary

My research group is devoted to obtaining answers and insight to important chemical problems in essentially every area of chemistry, especially biological and organic chemistry, through theory and computation rather than experimentation. Chemistry is largely governed by the physics of electrons. Because the quantum mechanical Schrodinger Equation, HΨ = EΨ, properly describes the physics of small objects such as electrons, its solutions can provide insight into the chemistry of atoms and molecules. Due to the complexity of the underlying mathematics, such solutions can only be obtained with substantial computational resources.

Of particular interest are weak chemical interactions (hydrogen bonding, van der Waals forces, pi-type interactions, etc.) that play a vital role in a host of chemical, physical, and biological processes. Using extremely accurate electronic structure techniques, we probe the details of the underlying physics behind these interactions. We are also developing new computational methods that can reliably describe weak chemical interactions in large chemical or biochemical systems.

Recent Publications

G.S. Tschumper in, Reviews in Computational Chemistry, K.B. Lipkowitz and T.R. Cundari, Eds., VCH, New York, 26, 39-90 (2009). Reliable Electronic Structure Computations for Weak Noncovalent Interactions.

D. M. Bates and G. S. Tschumper, J. Phys. Chem. A., 113, 3427-3708 (2009). CCSD(T) Complete Basis Set Limit Relative Energies for Low-Lying Water Hexamer Structures. DOI Link

D. M. Bates, J. A. Anderson, P. Oloyede and G. S. Tschumper. Phys. Chem. Chem. Phys., 10, 2775-2779 (2008). Probing the effects of heterogeneity on delocalized π...π interaction energies. DOI Link

A.M. ElSohly and G.S. Tschumper. Int. J. Quantum. Chem., 109, 91-96 (2009). Comparison of polarization consistent and correlation consistent basis sets for noncovalent interactions. DOI Link

K.L. Copeland, J.A. Anderson, A.R. Farley, J.R. Cox and G.S. Tschumper, J. Phys. Chem. B., 112, 14291-14295 (2008). Probing Phenylalanine/Adenine π-Stacking Interactions in Protein Complexes with Explicitly Correlated and CCSD(T) Computations. DOI Link

B. W. Hopkins, A. M. ElSohly, and G. S. Tschumper. Phys. Chem. Chem. Phys., 9, 1550-1558 (2007). Reliable Structures and Energetics for Two New Delocalized π...π Prototypes: Cyanogen Dimer and Diacetylene Dimer. DOI Link

A. J. Weldon and G. S. Tschumper. Int. J. Quantum. Chem., 107, 2261-2265 (2007). Intrinsic Conformational Preferences of and an Anomeric-like Effect in 1-Substituted Silacyclohexanes. DOI Link

A. M. ElSohly, C. L. Shaw, M. E. Guice, B. D. Smith and G. S. Tschumper. Mol. Phys., 105, 2777-2782 (2007). Analytic gradients for the multicentered integrated QM:QM method for weakly bound clusters: efficient and accurate 2-body:many-body geometry optimizations. DOI Link

A. M. ElSohly, G. S. Tschumper, R. A. Crocombe, J. T. Wang, and T. F. Williams, J. Am. Chem. Soc.,127, 10573-10583 (2005). Computational and ESR Studies of Electron Attachment to Octafluorocyclobutane and Hexafluorocyclopropane: Electron Affinities of the Molecules and the Structures of their Stable Negative Ions as Determined from the ¹³C and ¹⁹F Hyperfine Coupling Constants. DOI Link

J. C. Rienstra-Kiracofe, G. S. Tschumper, H. F. Schaefer, S. Nandi, and G. B. Ellison, Chem. Rev., 102, 231 (2002). Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations. DOI Link