Fast parallel algorithms for short-range molecular dynamics
- S. Plimpton
- Computer Science
- 1 May 1993
Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Dislocation nucleation and defect structure during surface indentation
- C. L. Kelchner, S. Plimpton, J. C. Hamilton
- Materials Science
- 1 November 1998
We model indentation of a metal surface by combining an atomistic metal with a hard-sphere indenter. This work provides atomistic imaging of dislocation nucleation during displacement controlled…
Granular flow down an inclined plane: Bagnold scaling and rheology.
- L. Silbert, Deniz Ertas, G. Grest, T. Halsey, D. Levine, S. Plimpton
- Geology, PhysicsPhysical review. E, Statistical, nonlinear, and…
- 3 May 2001
A systematic, large-scale simulation study of granular media in two and three dimensions, investigating the rheology of cohesionless granular particles in inclined plane geometries, finds that a steady-state flow regime exists in which the energy input from gravity balances that dissipated from friction and inelastic collisions is found.
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
- A. Thompson, H. Aktulga, S. Plimpton
- Computer ScienceComputer Physics Communications
- 1 September 2021
MapReduce in MPI for Large-scale graph algorithms
- S. Plimpton, K. Devine
- Computer ScienceParallel Computing
- 1 September 2011
Implementing molecular dynamics on hybrid high performance computers - short range forces
- W. M. Brown, Peng Wang, S. Plimpton, A. Tharrington
- Computer ScienceComputer Physics Communications
- 1 April 2011
Nonlinear magnetohydrodynamics simulation using high-order finite elements
- C. Sovinec, A. Glasser, M. Chu
- Physics
- 20 March 2004
Particle-Mesh Ewald and rRESPA for Parallel Molecular Dynamics Simulations
- S. Plimpton, R. Pollock, M. Stevens
- Computer ScienceSIAM Conference on Parallel Processing for…
- 1997
The parallel implementation of a molecular dynamics code suitable for simulation of general molecular systems using spatial{decomposition methods is discussed and some performance numbers for large{scale biomembrane simulations on a Intel Paragon are given.
Implementing peridynamics within a molecular dynamics code
- M. Parks, R. Lehoucq, S. Plimpton, S. Silling
- PhysicsComputer Physics Communications
- 1 December 2007
A constant-time kinetic Monte Carlo algorithm for simulation of large biochemical reaction networks.
- A. Slepoy, A. Thompson, S. Plimpton
- Computer ScienceJournal of Chemical Physics
- 23 May 2008
A constant-time algorithm, whose cost is independent of the number of reactions, enabled by a slightly more complex underlying data structure is presented, which is applicable to kinetic Monte Carlo simulations in general and its competitive performance on small- and medium-size networks is demonstrated.
...
...