infrequent events – TechConnect Briefs

Multiscale Detection of Temporal Features in Molecular Dynamics Simulations:Applications to Acceleration Methods

Richie D., Kim J., Wilkins J.W., High Performance Technologies, Inc., US

Extending the time scales accessible through direct molecular dynamics simulations is an area of active research. New acceleration techniques promise to achieve experimentally relevant time scales. A common ingredient in many of these acceleration schemes [...]

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 [...]