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| Research Domain： |
traditional statistical mechanical theory and molecular dynamics computer simulation methods to study systems of chemical and physical interest. |
| Keyword： |
Hans C. Andersen |
| Research Production： |
Principal Research Interests
Our research program uses both traditional statistical mechanical theory and molecular dynamics computer simulation methods to study systems of chemical and physical interest. A major activity in the group at this time is the study of relaxation in low temperature liquids, with the aim of understanding the properties of supercooled liquids and the nature of the glass transition. We do computer simulation studies of the molecular motion and relaxation in simple models of liquids as well as studies of simpler Ising models that can display complex relaxation behavior. We develop analytical kinetic theories to describe the same types of systems. A particularly useful approach we are developing is that of constructing theories of spin systems, of more realistic models of atomic and molecular liquids, and of models of polymeric liquids, that have a similar formal structure. The simpler systems can be studied in great detail, and insights about theoretical techniques and approximations that work for the simple systems can then be applied to clarify the analysis of the more realistic and complex models. The other characteristic of our work is the use of computer simulation results to provide critical tests of analytical theory.
Other topics of recent interest are molecular dynamics simulations to study melting in two dimensional liquids, the development of path integral techniques for the study of quantum systems, the development and extension of a quantum transition state theory for chemical reaction rate constants, and the development of a computer simulation method for the calculation of the chemical potential of liquids and solids.
Representative Publications
1 “A diagrammatic theory of time correlation functions of facilitated kinetic Ising models,” S.J. Pitts and H.C. Andersen, Journal of Chemical Physics, 114, 1101 (2001).
2 “Facilitated Spin Models, Mode Coupling Theory, and Ergodic-Nonergodic Transitions,” S.J. Pitts, T. Young, and H.C. Andersen, Journal of Chemical Physics, 113, 8671 (2000).
3 “Functional and Graphical Methods for Classical Statistical Dynamics. I. A Formulation of the Martin-Siggia-Rose Method,” H.C. Andersen, J. Math. Phys., 41, 1979 (2000).
4 “Observation of a Two Stage Melting Transition in Two Dimensions,” K. Bagchi, H.C. Andersen, and W. Swope, Phys. Rev., E53, 3794 (1996).
5 “Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture: Intermediate Scattering Function and Dynamic Susceptibility,” W. Kob and H.C. Andersen, Phys. Rev., E52, 4134 (1995). |
| Remarks： |
Professor (b.1941)
B.S., 1962; Ph.D., 1966, Massachusetts Institute of Technology
Sloan Foundation Fellow, 1972-74; John Simon Guggenheim Fellowship, 1976-77; Hildebrand Award of the American Chemical Society, 1988; Member, National Academy of Sciences, 1992; Dean's Award for Distinguished Teaching, Stanford, 1992
Physical Chemistry
650-723-2711
hca@stanford.edu
Title: David Mulvane Ehrsam and Edward Curtis Franklin Professor in Chemistry
Work Phone:(650) 723-2711
Fax:(650) 725-0259
Work Address:S.G. Mudd 191
Stanford, California, 94305-5080 |
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