Statistical Mechanics and Molecular Dynamics

Monday, July 23, 2007 - 11:00am - 12:00pm
EE/CS 3-180
Mark Tuckerman (New York University)
Statistical mechanics provides the connection between the microscopic description
of a system and the macroscopic properties that can be observed in experiments.
In this lecture, the classical statistical mechanics principles that allow us to extract
macroscopic observables from microscopic simulations will be discussed. Statistical
mechanical techniques for analyzing microscopic equations of motion in terms of the
phase-space distributions they generate will be covered. The first part of the lecture
will focus on static equilibrium properties. In the last part of the lecture, time-dependent
statistical mechanics and the calculation of dynamical observables from time correlation
functions will be discussed.