57 search results - page 1 / 12 » Parallel algorithms for molecular dynamics with induction fo... |
69
Voted
CPHYSICS
2008
14 years 10 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
14 years 11 months ago
2007
101
Voted
CPHYSICS
2008
14 years 10 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...
113
Voted
JCC
2010
14 years 8 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...
113
Voted
APVIS
2011
2011
Loose capacity-constrained representatives for the qualitative visual analysis in molecular dynamics
13 years 10 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...