202 citations · 629 across the 18 of their papers we have counts for
3 papers · 1 filter
NVU dynamics. II. Comparing to four other dynamics
Trond S. Ingebrigtsen, Søren Toxvaerd, Thomas B. Schrøder +1
In the companion paper [Ingebrigtsen et al., arXiv:1012.3447] an algorithm was developed for tracing out a geodesic curve on the constant-potential-energy hypersurface. Here simula…
NVU dynamics. I. Geodesic motion on the constant-potential-energy hypersurface
Trond S. Ingebrigtsen, Søren Toxvaerd, Ole J. Heilmann +2
An algorithm is derived for computer simulation of geodesics on the constant potential-energy hypersurface of a system of N classical particles. First, a basic time-reversible geod…
Shifted forces in molecular dynamics
Søren Toxvaerd, Jeppe C. Dyre
Simulations involving the Lennard-Jones potential usually employ a cut-off at . This paper investigates the possibility of reducing the cut-off. Two different cut-off imple…