Alternatives and similar repositories for KMCLib

Users that are interested in KMCLib are comparing it to the libraries listed below

• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆72Updated 5 months ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆85Updated 3 years ago
• mhoffman / kmos
  kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
  ☆57Updated 7 years ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆130Updated 3 years ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated this week
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆90Updated 3 weeks ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆129Updated 7 months ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆51Updated last week
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆78Updated 2 weeks ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆171Updated 3 weeks ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆68Updated last year
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆121Updated this week
• SUNCAT-Center / catmap
  Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
  ☆106Updated 8 months ago
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆75Updated last year
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆36Updated 4 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Updated last year
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆95Updated 3 weeks ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆165Updated 2 weeks ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆69Updated last month
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆134Updated last year
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆42Updated 5 months ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆86Updated 2 weeks ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆42Updated 3 years ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆106Updated last year
• zhongliliu / elastool
  A toolkit for automatic calculation and analysis of elastic constants
  ☆51Updated last year
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆172Updated 8 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 6 years ago
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆75Updated 7 months ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆53Updated this week
• MMonCa / MMonCa
  Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial gr…
  ☆27Updated last month