sntioudis / paprecaLinks
PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator
☆13Updated 3 months ago
Alternatives and similar repositories for papreca
Users that are interested in papreca are comparing it to the libraries listed below
Sorting:
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials☆51Updated 2 months ago
- ☆12Updated 3 weeks ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Updated 3 years ago
- Lammps tutorial: graphene simulations☆33Updated 5 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Updated 2 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated 2 weeks ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 4 years ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆23Updated last year
- Lecture materials for: Ab initio methods in solid state physics.☆24Updated 11 months ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆13Updated 9 months ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆42Updated 4 years ago
- VELAS is a user-friendly open-source toolbox for the visualization and analysis of elastic anisotropy written in GNU Octave that can be u…☆18Updated 6 months ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Updated 2 years ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆16Updated 6 months ago
- APEX: Alloy Properties EXplorer using simulations☆40Updated 6 months ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆26Updated 6 years ago
- Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.…☆12Updated 2 years ago
- ThermoElectric is a computational framework that computes electron transport coefficients.☆24Updated last year
- A tool for performing post-processing of lammps log files☆13Updated 4 years ago
- A 1D drift-diffusion simulator for semiconductor devices (LEDs, solar cells, diodes, organics, perovskites)☆76Updated 2 months ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 6 years ago
- Learning Molecular Dynamics with LAMMPS☆16Updated last year
- NIST Interatomic Potential Repository property calculation tools☆12Updated 2 months ago
- A Python library to calculate elastic properties of materials.☆59Updated 3 months ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Updated 6 years ago
- DFT simulation of He atom☆13Updated 4 years ago
- LAMMPS configuration files☆13Updated 8 years ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆11Updated 4 years ago
- Input script for Monte Carlo (GCMC) simulations☆20Updated last year
- Fermi surface generation, analysis and visualisation.☆98Updated 2 weeks ago