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LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
Article
Article
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
Aidan P. Thompson; Hasan Metin Aktulga; Richard Berger; Dan Bolintineanu; William M. Brown; Paul Crozier; Pieter J. in ’t Veld; Axel Kohlmeyer · Computer Physics Communications · 2021
Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesos...
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GROMACS: A message-passing parallel molecular dynamics implementation
Article
Article
GROMACS: A message-passing parallel molecular dynamics implementation
Herman J. C. Berendsen; David van der Spoel; Rudi van Drunen · Computer Physics Communications · 1995
Subjects / keywords: Message passing; Computer science; Parallel computing; Message Passing Interface; Dynamics (music); Computational science; Molecular dynamics; Physics; Acoustics; Quantum mechanics
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