Results 21 to 30 of about 8,369 (238)
Coupling LAMMPS and OpenFOAM for Multi-Scale Models [PDF]
, 2023 Edward Smith's slides are available on this institutional respository. Visit https://www.archer2.ac.uk/training/courses/230719-openfoam-lammps-vt/ to obtain all the presentation slides and recording.Timeline [streaming video] : 2:29 Hybrid Atomistic ...
Gennari, G +3 more
core +4 more sources
A Kokkos-accelerated Moment Tensor Potential implementation for LAMMPS
SoftwareXWe present a Kokkos-accelerated implementation of the Moment Tensor Potential (MTP) for LAMMPS, designed to improve both computational performance and portability across CPUs and GPUs.
Zijian Meng +5 more
doaj +4 more sources
run-towards-the-future/LAMMPS-LMFF: Layered Materials Force Field (LMFF)
, 2021 LAMMPS is one of the most popular Molecular Dynamic (MD) packages and is widely used in the field of physics, chemistry and materials simulation. Layered Materials Force Field (LMFF) is our expansion of the LAMMPS potential function based on the Tersoff ...
summer
core +2 more sources
Relative Resolution: A Computationally Efficient Implementation in LAMMPS [PDF]
Journal of Chemical Theory and Computation, 2021 Recently, a novel type of a multiscale simulation, called Relative Resolution (RelRes), was introduced. In a single system, molecules switch their resolution in terms of their relative separation, with near neighbors interacting via fine-grained potentials yet far neighbors interacting via coarse-grained potentials; notably, these two potentials are ...
Mark Chaimovich, Aviel Chaimovich
openaire +3 more sources
, 2023 This dataset includes: 01_VASP: Input files for density functional theory molecular dynamics simulations using VASP 02_DP-GEN: Input files for generating training datasets using DP-GEN 03_DeePMD: Input files and datasets for constructing neural network ...
l y (8399214)
core +1 more source
LAMMPS Stable release 29 September 2021
, 2021 Below is a list of major changes since the last stable release 29 October 2020 Same as the last time, this stable release contains over 4000 commits since the previous stable release.
Steve Plimpton +4 more
core +1 more source
A Note on Time Measurements in LAMMPS
CoRR, 2016 We examine the issue of assessing the efficiency of components of a parallel program at the example of the MD package LAMMPS. In particular, we look at how LAMMPS deals with the issue and explain why the approach adopted might lead to inaccurate conclusions.
Daniel Tameling +2 more
openaire +2 more sources
denghuilu/lammps: lammps, submodule of deepmd-kit for CPC
, 2020 Public development project of the LAMMPS MD software ...
Steve Plimpton +29 more
core +1 more source