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» Implementing peridynamics within a molecular dynamics code
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CPHYSICS
2008
161views more  CPHYSICS 2008»
13 years 4 months ago
Implementing peridynamics within a molecular dynamics code
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 ...
Michael L. Parks, Richard B. Lehoucq, Steven J. Pl...
IPPS
2006
IEEE
13 years 10 months ago
Parallel implementation of the replica exchange molecular dynamics algorithm on Blue Gene/L
The Replica Exchange method is a popular approach for studying the folding thermodynamics of small to modest size proteins in explicit solvent, since it is easily parallelized. Ho...
Maria Eleftheriou, Aleksandr Rayshubskiy, Jed W. P...
BMCBI
2011
12 years 11 months ago
Implementation of Force Distribution Analysis for Molecular Dynamics simulations
Background: The way mechanical stress is distributed inside and propagated by proteins and other biopolymers largely defines their function. Yet, determining the network of intera...
Wolfram Stacklies, Christian Seifert, Frauke Graet...
IPPS
2007
IEEE
13 years 11 months ago
Porting the GROMACS Molecular Dynamics Code to the Cell Processor
The Cell processor offers substantial computational power which can be effectively utilized only if application design and implementation are tuned to the Cell architecture. In th...
Stephen Olivier, Jan Prins, Jeff Derby, Ken V. Vu
FCCM
2007
IEEE
169views VLSI» more  FCCM 2007»
13 years 11 months ago
FPGA-Based Multigrid Computation for Molecular Dynamics Simulations
Abstract: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Implementing long-range forces, however, has only recently been address...
Yongfeng Gu, Martin C. Herbordt