hyperdynamics – TechConnect Briefs

Accelerating Molecular Dynamics Simulations

Germann T.C., Voter A.F., Los Alamos National Laboratory, US

In contrast with the converging length scales of atomistic simulations and experimental nanoscience, large time scale discrepancies still remain, due to the time-scale limitations of molecular dynamics. We briefly review two recently developed methods, derived [...]

Introduction to the Time Scale Problem

Voter A.F., Los Alamos National Laboratory, US

As motivation for the symposium on extended-scale atomistic methods, I briefly discuss the time scale problem that plagues molecular dynamics simulations, some promising recent developments for circumventing the problem, and some remaining challenges.