Asif-Iqbal-Bhatti / High-Entropy-AlloysLinks
Generate random alloys and compute various properties
☆58Updated 9 months ago
Alternatives and similar repositories for High-Entropy-Alloys
Users that are interested in High-Entropy-Alloys are comparing it to the libraries listed below
Sorting:
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- ☆68Updated 2 years ago
- Site-Occupation Disorder☆44Updated 5 months ago
- Grand canonical optimization of grain boundary phases.☆27Updated 4 months ago
- A grain boundary generation code☆74Updated 2 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆74Updated last year
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- ☆22Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated last week
- Defect analysis modules for pymatgen☆55Updated last week
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated last month
- ☆43Updated 7 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago
- ☆48Updated 11 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆26Updated 2 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆36Updated 6 months ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- A for finding optimized SQS structures tool written in C++☆50Updated this week
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated last week
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- Band structure unfolding made easy!☆55Updated last week
- Examples demonstrating how to reproduce the results in the paper.☆58Updated 10 months ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- Tools for Phono(3)py power users.☆34Updated last year
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆43Updated last year