Session V27: Computational Methods:Monte Carlo/Molecular Dynamics II

11:15 AM–1:51 PM, Thursday, March 16, 2006
Baltimore Convention Center - 324

Sponsoring Unit: DCOMP
Chair: Lee Collins, Los Alamos National Laboratory

Abstract ID: BAPS.2006.MAR.V27.5

Abstract: V27.00005 : Improved sampling of computationally expensive potentials

12:03 PM–12:15 PM

Preview Abstract

Author:

  Mark Dewing

We wish to evaluate statistical properties of systems using potentials that are accurate but computationally expensive, such as those obtained from Density Functional Theory or Quantum Monte Carlo. Using a cheap, approximate potential that is sufficiently close to the potential of interest, sample points can be generated that allow efficient evaluation of properties of the accurate potential.

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2006.MAR.V27.5