31 skills found · Page 1 of 2
simongravelle / Lammps Input FilesLAMMPS inputs and data files
peteboyd / Lammps Interfaceautomatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
Tingliangstu / Lammps ToolsSome scripting tools used for lammps input or output
lammpstutorials / Lammpstutorials InputsLAMMPS input from lammpstutorials.github.io
Ramprasad-Group / PSPPSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
nuwan-d / Polymer Metal InterfaceProvides some useful information and the LAMMPS input files to model a polymer-metal interface.
yiming-xu / LAMMPS SimulationSimulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
rytheranderson / Cif2lammpsFor the conversion of crystal systems (as cifs) to LAMMPS inputs
simongravelle / Atb2lammpsConvert files from the ATB repository to LAMMPS format
cpueschel / Lammps Data File GeneratorGenerate data file for lammps using force field and a POSCAR (VASP) like input file.
Akou-stack / Phonon Thermal TransportThis repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, various python post processing scripts, and other other key files, including initial atomistic model of stochastically created polycrystalline graphene, that work as input for the different scripts.
yzhang951 / MD UtilityExamples and utilities for molecular dynamics simulations
rociomer / Topo Tools ScriptsScripts for preparing input files for molecular dynamics simulations of gases in MOF-74 analogues using the DFT-derived force field in LAMMPS.
schakrabortygithub / MD CPFE ForAdditiveManufacturingInput scripts for MD(LAMMPS) and CPFE(MOOSE) coupled model to study the effect of process parameters in Additive Manufacturing(AM) process
elisaaym / LDM Membrane For Desalination Molecular Dynamics StudiesThis repository includes the LAMMPS input and data file used for my PhD Project from 2016 to 2020. Please see the README.md file for more information.
mattkmostrom / Spectro LammpsAn MD code written in python that mimics LAMMPS inputs used to produce and process simulated spectroscopic data
amelielemay / MD ContaminantsDatabase of molecular dynamics input files for LAMMPS software. Contains input files for 82 compounds including legacy contaminants, PFASs, phthalates, pesticides, pharmaceuticals, and natural compounds.
taisiuting-alex / Manybody Heat Current MTP LAMMPS InterfaceDeposit for Input data for " Revisit Many-body Interaction Heat Current and Thermal Conductivity Calculation in Moment Tensor Potential/LAMMPS Interface" (2024)
Riaz-404 / LAMMPS HEA Tensile ScriptLAMMPS input script for uniaxial tensile simulation of High Entropy Alloy
symashayak / Water Molecular Simulationa repository for input configuration and parameter files for carrying out molecular simulations of water by different MD tools, such as GROMACS, NAMD, LAMMPS, etc.
