IPPS
2010
IEEE
14 years 1 months ago
2010
IEEE
The advent of general purpose graphics processing units (GPGPU's) brings about a whole new platform for running numerically intensive applications at high speeds. Their multi-...
JCC
2010
14 years 2 months ago
2010
Molecular dynamics (MD) simulation involves solving Newton’s equations of motion for a system of atoms, by calculating forces and updating atomic positions and velocities over a...
CPHYSICS
2007
14 years 3 months ago
2007
Molecular dynamics (MD) simulations are used for the study of non-thermal-equilibrium reactions that take place on the substrate surface during plasma etching processes. In MD sim...
JCC
2008
14 years 3 months ago
2008
Abstract: Version 9 of the Amber simulation programs includes a new semi-empirical hybrid QM/MM functionality. This includes support for implicit solvent (generalized Born) and for...