Wednesday, October 25/11:15 AM
IP7
Mathematical Problems Suggested by Computational Statistical Mechanics
Computer simulation methods, such as Monte Carlo and molecular dynamics, are very useful for investigating statistical mechanical problems associated with understanding the properties of materials. Current and potential future uses of these methods suggest mathematical problems whose solutions would lead to the development of powerful new methods and to greater insight into validity of current methods. The speaker will discuss several such problems that have arisen in his research on computer simulations. He will discuss numerical analytic continuation methods; the statistical mechanics of the dynamics that is generated by approximate algorithms for integrating equations of motion; and the development of basis functions that might be especially useful for quantum calculations for systems with many electrons.
Hans C. Andersen
Department of Chemistry
Stanford University
7/31/95