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BICOB
2009
Springer
14 years 3 months ago
Towards Large-Scale Molecular Dynamics Simulations on Graphics Processors
Atomistic molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide a view of chemical systems and processes that is not obtainable thr...
Joseph E. Davis, Adnan Ozsoy, Sandeep Patel, Miche...
IPPS
2008
IEEE
14 years 2 months ago
Impact of multicores on large-scale molecular dynamics simulations
Processing nodes of the Cray XT and IBM Blue Gene Massively Parallel Processing (MPP) systems are composed of multiple execution units, sharing memory and network subsystems. Thes...
Sadaf R. Alam, Pratul K. Agarwal, Scott S. Hampton...
IPPS
1999
IEEE
14 years 25 days ago
Large Scale Simulation of Parallel Molecular Dynamics
This paper aims to describe the implementation of TAKAKAW, an efficient parallel application for the simulation of molecular dynamics designed to handle large proteins in biology....
Pierre-Eric Bernard, Thierry Gautier, Denis Trystr...
AGS
2009
Springer
14 years 3 months ago
Distributed Platform for Large-Scale Agent-Based Simulations
Abstract. We describe a distributed architecture for situated largescale agent-based simulations with predominately local interactions. The approach, implemented in AglobeX Simulat...
David Sislák, Premysl Volf, Michal Jakob, M...