Alternatives and similar repositories for Multiscale-KMC

Users that are interested in Multiscale-KMC are comparing it to the libraries listed below

• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆37Updated 3 years ago
• VlachosGroup / Intro-to-KMC
  Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
  ☆26Updated 5 years ago
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆22Updated 4 years ago
• MikeHeiber / KMC_Lattice
  A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software …
  ☆21Updated 4 years ago
• palmergroup / hmcwithlammps
  ☆14Updated 6 years ago
• plrodolfo / FluidFreeEnergyforLAMMPS
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆26Updated 3 years ago
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆68Updated 4 months ago
• simongravelle / python-for-lammps
  Python scripts for dealing with molecular dynamics script for LAMMPS
  ☆17Updated 2 years ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆61Updated 8 months ago
• atoms-ufrj / postlammps
  A tool for performing post-processing of lammps log files
  ☆13Updated 3 years ago
• potfit / potfit
  potfit force-matching code
  ☆37Updated last year
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆37Updated this week
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆25Updated last year
• JE1314 / LAMMPS_builder
  Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab
  ☆11Updated 3 weeks ago
• nanotech-empa / cp2k-spm-tools
  Scanning probe microscopy simulation tools based on CP2K
  ☆14Updated this week
• lammpstutorials / lammpstutorials-article
  LAMMPS tutorials for both beginners and advanced users: the article
  ☆22Updated last month
• Mauro-Glass-Group / ExplorerPy
  A software for mapping energy landscape with a variety of methods, using classical potentials. Based on the LAMMPS MD package.
  ☆10Updated 4 years ago
• velocirobbie / make-graphitics
  ☆43Updated 4 years ago
• atomisticnet / aenet-lammps
  Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)
  ☆9Updated 2 months ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆40Updated 3 years ago
• materialsvirtuallab / Data-driven-First-Principles-Methods-for-the-Study-and-Design-of-Alkali-Superionic-Conductors
  Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…
  ☆12Updated 4 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆42Updated 4 months ago
• lingtikong / phana
  ☆27Updated 10 months ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆36Updated 4 years ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆45Updated 5 months ago
• LLNL / USER-EPH
  LAMMPS extension to capture electron-ion interaction. This is a mirror of https://gitlab.com/artuuuro/USER-EPH.
  ☆13Updated last month
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆41Updated 3 months ago
• ttadano / ALM
  ☆19Updated 11 months ago
• mholmboe / atom
  Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
  ☆21Updated last week