Asif-Iqbal-Bhatti / High-Entropy-AlloysLinks
Generate random alloys and compute various properties
☆64Updated last year
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)☆69Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated 3 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 3 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆49Updated 6 years ago
- ☆72Updated 2 years ago
- Site-Occupation Disorder☆47Updated 8 months ago
- ☆27Updated last month
- ☆22Updated 2 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆38Updated last week
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Updated last year
- A grain boundary generation code☆79Updated 2 years ago
- Grand canonical optimization of grain boundary phases.☆30Updated 7 months ago
- ☆45Updated 7 years ago
- ☆60Updated last year
- High-throughput DFT of MOFs using ASE/VASP☆29Updated 2 years ago
- ☆27Updated last year
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆30Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 7 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆42Updated 10 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆31Updated 6 years ago
- A module for ASE for elastic constants calculation.☆47Updated 10 months ago
- materialyzeai / Data-driven-First-Principles-Methods-for-the-Study-and-Design-of-Alkali-Superionic-ConductorsJupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Updated 5 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Defect analysis modules for pymatgen☆61Updated this week
- quick analysis of vasp calculation☆38Updated last year