Results 191 to 200 of about 8,369 (238)
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An Implicit Spin Lattice Dynamics Integrator in LAMMPS
Computer Physics Communications, 2022zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Jennifer R Lukes, Joseph R Cooke
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HSMA: An O(N) Electrostatics Package Implemented in LAMMPS
Computer Physics Communications, 2022 We implement two recently developed fast Coulomb solvers, HSMA3D (Zhao et al. (2018) [49]) and HSMA2D (Liang et al. (2020) [50]), into a new user package HSMA for the molecular dynamics simulation engine LAMMPS. The HSMA package is designed for efficient
Zhenli Xu, Jiaxing Yuan, Jiuyang Liang
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Smoothed Dissipative Particle Dynamics Package for LAMMPS
Computer Physics Communications, 2020zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Sarah Mohammadinejad +2 more
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2006 HPCMP Users Group Conference (HPCMP-UGC'06), 2006
The Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code is part of the Department of Defense High Performance Computing Modernization Program (HPCMP) technology insertion (TI) benchmarking suite of applications. As a component of the TI benchmarking applications, LAMMPS is a significant contributor to Computational Chemistry and ...
James Fischer +2 more
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The Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code is part of the Department of Defense High Performance Computing Modernization Program (HPCMP) technology insertion (TI) benchmarking suite of applications. As a component of the TI benchmarking applications, LAMMPS is a significant contributor to Computational Chemistry and ...
James Fischer +2 more
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From GROMACS to LAMMPS: GRO2LAM
Journal of Molecular Modeling, 2019 Atomistic simulations have progressively attracted attention in the study of physical-chemical properties of innovative nanomaterials. GROMACS and LAMMPS are currently the most widespread open-source software for molecular dynamics simulations thanks to their good flexibility, numerous functionalities and responsive community support. Nevertheless, the
Luca Bergamasco +2 more
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PyLAT: Python LAMMPS Analysis Tools
Journal of Chemical Information and Modeling, 2019Reproducibility and accuracy have become increasingly important issues for the molecular simulation community. The availability of validated open-source postprocessing tools to analyze simulation trajectories and compute properties is key to helping researchers conduct more accurate and reproducible simulations.
Michael T. Humbert +2 more
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Performance Evaluation of LAMMPS on Multi-Core Systems
2013 IEEE 10th International Conference on High Performance Computing and Communications & 2013 IEEE International Conference on Embedded and Ubiquitous Computing, 2013With the widespread use of multi-core processors, specialized applications requiring parallel processing can be run on general desktops. In this study, we measure and analyze the parallel performance of LAMMPS, a classical well-known molecular dynamics code, on single multi-core systems. In order to check the parallel efficiency on single machines, the
Kwangho CHA
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Implementation of Green's function molecular dynamics: An extension to LAMMPS
Computer Physics Communications, 2009zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Ling Ti Kong +4 more
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Implementation of a ternary lattice Boltzmann model in LAMMPS
Computer Physics CommunicationszbMATH Open Web Interface contents unavailable due to conflicting licenses.
Gokul Raman Arumugam Kumar +2 more
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