APSC 601 - Computational Methods for Molecular Dynamics

Spring 3 Prerequisite(s): Working knowledge of elementary statistical mechanics, ability to program in Fortran and/or C, access to at least a Pentium-level computer, and consent of the instructor.

This course is intended to give graduate students the ability to design and implement molecular dynamic simulations, which are useful in their research projects. Topics to be covered include Newtonian and Langevin dynamics, periodic boundary conditions, constraint forces, correlation functions, and selected applications in chemistry and physics. This course may be repeated for credit.