57 search results - page 3 / 12 » Parallel algorithms for molecular dynamics with induction fo... |
ICS
2009
Tsinghua U.
14 years 3 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...
CPHYSICS
2008
13 years 8 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...
CPHYSICS
2008
13 years 8 months ago
2008
Peridynamics (PD) is a continuum theory that employs a nonlocal model to describe material properties. In this context, nonlocal means that continuum points separated by a finite ...
ICPP
2006
IEEE
14 years 2 months ago
2006
IEEE
— This paper presents Salsa, a novel, decentralized and asynchronous realization of the “replica exchange” algorithm for simulating the structure, function, folding, and dyna...
ASAP
2009
IEEE
14 years 5 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...