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» Large Scale Simulation of Parallel Molecular Dynamics
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IPPS
1999
IEEE
14 years 4 days ago
Large Scale Simulation of Particulate Flows
Simulations of particles in fluid flows are of great interest to numerous industries using sedimentation, fluidization, lubricated transport, and hydraulic fracturing of hydrocarb...
Ahmed H. Sameh, Vivek Sarin
IPPS
2007
IEEE
14 years 2 months ago
On the Path to Enable Multi-scale Biomolecular Simulations on PetaFLOPS Supercomputer with Multi-core Processors
1 Biological processes occurring inside cell involve multiple scales of time and length; many popular theoretical and computational multi-scale techniques utilize biomolecular simu...
Sadaf R. Alam, Pratul K. Agarwal
JCC
2006
103views more  JCC 2006»
13 years 7 months ago
Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics
: The major bottleneck of today's atomistic molecular dynamics (MD) simulations is that because of the enormous computational effort involved, only processes at nanoseconds to...
Oliver F. Lange, Lars V. Schäfer, Helmut Grub...
SCJAPAN
2000
63views more  SCJAPAN 2000»
13 years 7 months ago
DGP: Dynamic grouping of particles for parallel molecular dynamics simulations
Yoshiaki Takai, Hironori Emaru, Tsuyoshi Yamamoto
CPHYSICS
2008
161views more  CPHYSICS 2008»
13 years 8 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...