m-rivera / ljmdLinks
Lennard-Jones Molecular Dynamics for beginners
☆15Updated 4 years ago
Alternatives and similar repositories for ljmd
Users that are interested in ljmd are comparing it to the libraries listed below
Sorting:
- ☆34Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆56Updated last month
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆41Updated last week
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆47Updated 6 months ago
- ☆73Updated 2 years ago
- A Set of Tutorials for the LAMMPS Simulation Package☆40Updated 4 months ago
- ☆21Updated 4 years ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Grand canonical optimization of grain boundary phases.☆31Updated 9 months ago
- Tool for finding atomic environments in crystal structures☆23Updated 8 months ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆23Updated 2 weeks ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆70Updated last year
- A pymatgen addon for parsing Quantum ESPRESSO files☆30Updated last year
- A Python library and command line interface for automated free energy calculations☆86Updated this week
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆77Updated 2 weeks ago
- Some ongoing projects in Zhu's group☆28Updated last year
- A tool for finding optimized SQS structures tool written in C++☆62Updated last month
- APEX: Alloy Properties EXplorer using simulations☆42Updated 9 months ago
- ☆51Updated last week
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- A widget to visualize and edit atomic structures in Jupyter Notebook☆46Updated 2 weeks ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆12Updated 3 weeks ago
- Active Learning for Machine Learning Potentials☆63Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆60Updated 3 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆44Updated 5 months ago
- An interactive structure viewer alongside its simulated diffraction pattern☆19Updated 3 weeks ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago