57 search results - page 8 / 12 » Parallel algorithms for molecular dynamics with induction fo... |
IPPS
2008
IEEE
14 years 1 months ago
2008
IEEE
NAMD† is a portable parallel application for biomolecular simulations. NAMD pioneered the use of hybrid spatial and force decomposition, a technique now used by most scalable pr...
CONCURRENCY
1998
13 years 7 months ago
1998
Abstract Advances in high performance computing, communications, and user interfaces enable developers to construct increasingly interactive high performance applications. The Falc...
SP
2002
IEEE
13 years 7 months ago
2002
IEEE
A suite of scalable atomistic simulation programs has been developed for materials research based on space-time multiresolution algorithms. Design and analysis of parallel algorit...
ICPPW
1999
IEEE
13 years 11 months ago
1999
IEEE
As group applications become more prevalent, efficient network utilization becomes a major concern. Multicast transmission may use network bandwidth more efficiently than multiple...
PC
2008
13 years 7 months ago
2008
We present a distributed scheme for initialization from atomic wavefunctions in ab initio molecular dynamics simulations. Good initial guesses for approximate wavefunctions are ve...