Sciweavers

IPPS
2010
IEEE
13 years 9 months ago
Improving numerical reproducibility and stability in large-scale numerical simulations on GPUs
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-...
Michela Taufer, Omar Padron, Philip Saponaro, Sand...
JCC
2010
113views more  JCC 2010»
13 years 10 months ago
MDLab: A molecular dynamics simulation prototyping environment
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...
Trevor M. Cickovski, Santanu Chatterjee, Jacob Wen...
CPHYSICS
2007
113views more  CPHYSICS 2007»
13 years 11 months ago
Atomic-level simulation of non-equilibrium surface chemical reactions under plasma-wall interaction
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...
Satoshi Hamaguchi, Masashi Yamashiro, Hideaki Yama...
JCC
2008
132views more  JCC 2008»
13 years 11 months ago
The implementation of a fast and accurate QM/MM potential method in Amber
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...
Ross C. Walker, Michael F. Crowley, David A. Case