mhoffman / kmos
kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
☆53Updated 6 years ago
Related projects ⓘ
Alternatives and complementary repositories for kmos
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆113Updated last month
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 8 months ago
- A kinetic Monte Carlo Python/C++ library.☆119Updated 7 months ago
- A module for ASE for elastic constants calculation.☆35Updated 2 months ago
- A simulation package of phonon-phonon interaction related properties☆123Updated this week
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆46Updated 6 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆39Updated this week
- Python interface for VASP☆78Updated 2 weeks ago
- Phonon anharmonicity analysis from molecular dynamics☆112Updated this week
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆84Updated 6 months ago
- potfit force-matching code☆34Updated 8 months ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆56Updated this week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA …☆64Updated 3 months ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆72Updated 9 months ago
- A grain boundary generation code☆56Updated last year
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆55Updated last year
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆95Updated 3 months ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆64Updated 8 months ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆39Updated last year
- Python Cp2k interface☆88Updated 2 years ago
- Python package to analyse electron density & electrostatic potential grids☆83Updated 10 months ago
- Open-source library for analyzing the results produced by ABINIT☆116Updated this week
- Course materials for NANO 106 - Crystallography of Materials☆33Updated 2 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆86Updated this week
- BandUP: Band Unfolding code for Plane-wave based calculations☆99Updated 3 years ago
- generator of simple atomistic models☆24Updated 6 years ago
- ELATE: Elastic tensor analysis☆70Updated 6 months ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆23Updated 4 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago