MikeHeiber / KMC_LatticeLinks
A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software tools.
☆23Updated 5 years ago
Alternatives and similar repositories for KMC_Lattice
Users that are interested in KMC_Lattice are comparing it to the libraries listed below
Sorting:
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆55Updated this week
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated this week
- A Python library to calculate elastic properties of materials.☆59Updated 5 months ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆13Updated 11 months ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- JDFTx: software for joint density functional theory☆99Updated 3 weeks ago
- Fermi surface generation, analysis and visualisation.☆97Updated last week
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated this week
- ASE density-functional tight-binding calculator☆68Updated 11 months ago
- Interatomic potential creating using DFT training data.☆27Updated 6 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆92Updated last month
- Full public release of large scale and linear scaling DFT code CONQUEST☆115Updated 3 weeks ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆39Updated 2 weeks ago
- Python modules for electron–phonon models☆37Updated this week
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier☆58Updated this week
- New version of dft-book for Quantum Espresso☆47Updated 5 years ago
- ☆21Updated last year
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆17Updated this week
- Kinetic Monte Carlo with multiple time scales and sensitivity analysis☆28Updated 3 years ago
- Atomistic Manipulation Toolkit☆36Updated 4 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated 3 weeks ago
- QE-GIPAW for Quantum-Espresso (official repository)☆39Updated 4 months ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Updated 8 months ago
- A physics computational framework for python and ipython☆38Updated 5 months ago
- Tutorials for Quantum Espresso☆25Updated 3 years ago
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆18Updated 8 months ago