Coarse-graining molecular dynamics for crystalline solids

Monday, May 18, 2009 - 2:00pm - 2:40pm
EE/CS 3-180
Xiantao Li (The Pennsylvania State University)
I will discuss a coarse-grained model of molecular dynamics in
crystalline solids. Such system usually has an underlying lattice
structure, and the empirical potentials are of quite simple forms.
Thus it provides a nice setting in which coarse-graining (CG) methods
can be considered. The goal of the CG method is to reduce the
atomic degrees of freedom, and arrive at an effective model in
which only a small number of atoms are explicitly involved.
MSC Code: