MikeHeiber / KMC_LatticeLinks
A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software tools.
☆21Updated 4 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:
- Thermodynamics of solids in the quasiharmonic approximation.☆37Updated last month
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 5 years ago
- Tutorials for Quantum Espresso☆19Updated 2 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 5 months ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated 3 weeks ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆51Updated last week
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 5 months ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆69Updated 5 months ago
- Python modules for electron–phonon models☆33Updated 2 weeks ago
- Interfacial Phonon code☆26Updated 2 years ago
- A module for ASE for elastic constants calculation.☆42Updated 4 months ago
- Lammps tutorial: graphene simulations☆32Updated 4 years ago
- Kinetic Monte Carlo with multiple time scales and sensitivity analysis☆25Updated 2 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- Massively parallel vibrational mode calculator.☆23Updated 9 months ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆16Updated 4 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 5 years ago
- Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with …☆15Updated 3 years ago
- LAMMPS extension to capture electron-ion interaction. This is a mirror of https://gitlab.com/artuuuro/USER-EPH.☆13Updated 2 months ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆17Updated 9 years ago
- Course materials for NANO 106 - Crystallography of Materials☆34Updated 2 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated last year
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated 10 months ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆20Updated 2 years ago
- generator of simple atomistic models☆28Updated 6 years ago
- ASE density-functional tight-binding calculator☆66Updated 4 months ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Updated 5 years ago
- A tool for creating and manipulating tight-binding models.☆39Updated 3 months ago