57 search results - page 1 / 12 » Parallel algorithms for molecular dynamics with induction fo... |
CPHYSICS
2008
13 years 5 months ago
2008
We examine parallel algorithms for molecular dynamics simulations involving long-range induction interactions. The algorithms are tested by performing molecular dynamics simulatio...
PARCO
2007
13 years 6 months ago
2007
CPHYSICS
2008
13 years 5 months ago
2008
A scalable parallel algorithm has been designed to perform multimillion-atom molecular dynamics (MD) simulations, in which first principlesbased reactive force fields (ReaxFF) des...
JCC
2010
13 years 3 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...
APVIS
2011
2011
Loose capacity-constrained representatives for the qualitative visual analysis in molecular dynamics
12 years 5 months ago
Molecular dynamics is a widely used simulation technique to investigate material properties and structural changes under external forces. The availability of more powerful cluster...