Fast parallel algorithms for short-range molecular dynamics

By S. Plimpton. 1993

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Citations in the corpus

A phenomenological dislocation mobility law for bcc metals (2016, methodology): “In order to study the dependence of tcrss(s) on the state of stress and characterize the non-Schmidt model (26), we perform a series of nudged elastic band (NEB) calculations using the LAMMPS code ([90,91]).”
Size and temperature effects on the fracture mechanisms of silicon nanowires: Molecular dynamics simulations (2010, methodology): “The MD simulations are performed using the LAMMPS program (Plimpton, 1995) with multiple CPUs.”
Structural solution using molecular dynamics: Fundamentals and a case study of epoxy-silica interface (2011, methodology): “After constructing the atomistic models for both dry and wet cases with the clear definition of the model geometry and the interaction among atoms, the following computation experiments are carried out under NVT ensemble at 300 K in an existing MD code called LAMMPS (Plimpton, 1995).”
Multiscale modeling of carbon nanotube epoxy composites (2015, methodology): “All MD simulations runs were conducted with large-scale atomic/molecular massively parallel simulator (LAMMPS) [29] by using the consistent valence force field (CVFF) [30].”
A unified framework and performance benchmark of fourteen multiscale atomistic/continuum coupling methods (2009, methodology): “In order for multiscale methods to compete with, or eventually replace, atomistics it is necessary that the methods be implemented in 3D, parallel codes optimized to the same degree as atomistic packages like, for example, LAMMPS [36, 37].”
MCCCS Towhee: a tool for Monte Carlo molecular simulation (2013, methodology): “[47 –60] The vast majority of those build input for LAMMPS (http://la mmps.sandia.gov), [ 61] but GROMACS (http://www.gro macs.org/) [ 62] and DL_POLY [63] were also used in conjunction with Towhee.”
Active Learning of Uniformly Accurate Inter-atomic Potentials for Materials Simulation (2018, methodology): “We used DeePMD-kit [42] in the training step, LAMMPS [43] in the exploration step, and VASP [24,25] in the labeling step.”
Atomic scale processes of phase transformations in nanocrystalline NiTi shape-memory alloys (2017, methodology): “A series of MD simulations was then performed using the LAMMPS code [29] with a time step of 2 fs.”