16 search results - page 2 / 4 » A scalable parallel algorithm for large-scale reactive force... |
IRREGULAR
1998
Springer
13 years 9 months ago
1998
Springer
To achieve scalable parallel performance in Molecular Dynamics Simulation, we have modeled and implemented several dynamic spatial domain decomposition algorithms. The modeling is ...
CPHYSICS
2008
13 years 5 months ago
2008
A scalable parallel algorithm has been designed to study long-time dynamics of many-atom systems based on the nudged elastic band method, which performs mutually constrained molec...
ASAP
2009
IEEE
14 years 2 months ago
2009
IEEE
—Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretize...
ICS
2009
Tsinghua U.
13 years 11 months ago
2009
Tsinghua U.
Molecular Dynamics applications enhance our understanding of biological phenomena through bio-molecular simulations. Large-scale parallelization of MD simulations is challenging b...
PPOPP
2006
ACM
13 years 11 months ago
2006
ACM
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...