CHEMICAL AND BIOLOGICAL SCIENCES

Mark S. Gordon Senior Chemist and Distinguished Professor in Liberal Arts and Sciences, Iowa State University 201 Spedding Hall Ames Laboratory Iowa State University Ames, IA 50011 Phone 515-294-0452 FAX 515-294-5204 mark@si.fi.ameslab.gov

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PERSONAL HISTORY

• B.S. 1963, Rensselaer Polytechnic Institute
• Ph.D. 1968, Carnegie-Mellon University
• 1967-1970, Postdoctoral Associate, Iowa State University
• 1970-1973, Assistant Professor, North Dakota State University
• 1973-1977, Associate Professor, North Dakota State University
• 1977-1992, Professor, North Dakota State University
• 1981-1989, Chair, Department of Chemistry, North Dakota State University
• 1992-1998, Senior Chemist and Professor, Iowa State University
• 1998-present, Senior Chemist and Distinguished Professor in Liberal Arts and Sciences, Iowa State University
• 1997-present, Program Director, Applied Mathemathics Program, Ames Laboratory

RESEARCH INTERESTS

Developments and applications in ab initio electronic structure theory, and its interface with dynamics, materials and biochemistry; accurate elucidation of complex structures and mechanisms in organic, materials and organometallic chemistry, in the gas phase, in solution and on surfaces; new methods for treating the effects of solvation, for interfacing electronic structure calculations with dynamics, for obtaining accurate wave functions and properties for large molecules, and for treating surface chemistry and the liquid-surface interface; continuing development of the quantum chemistry code GAMESS.

RECENT PUBLICATIONS

M. S. Gordon and J. H. Jensen, “Understanding the Hydrogen Bond Using Quantum Chemistry”, Accts. Chem. Res. (invited), 29, 536 (1996).

M. W. Schmidt and M. S. Gordon, “The Construction and Interpretation of MCSCF Wavefunctions”, Ann. Rev. Phys. Chem. (invited), 49, 233 (1998).

G. D. Fletcher, M. W. Schmidt and M. S. Gordon, “Developments in Parallel Electronic Structure Theory”, Adv. Chem. Physics (invited), 110, 267 (1999).

M. S. Gordon, M. A. Freitag, P. Bandyopadhyay, V. Kairys, J. H. Jensen and W. J. Stevens, “The Effective Fragment Potential Method: A QM-Based MM Approach to Modeling Environmental Effects in Chemistry”, J. Phys. Chem. (Feature Article), 105, 293 (2001).