CJBartel / perovskite-stabilityLinks
☆41Updated 6 years ago
Alternatives and similar repositories for perovskite-stability
Users that are interested in perovskite-stability are comparing it to the libraries listed below
Sorting:
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Updated 6 years ago
- The Materials Project Workshop Curriculum☆117Updated 2 years ago
- Automatic generation of crystal structure descriptions.☆129Updated this week
- ☆73Updated 4 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…☆73Updated last year
- Generate random alloys and compute various properties☆65Updated last week
- ☆13Updated 3 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- A module for ASE for elastic constants calculation.☆47Updated 3 weeks ago
- ☆45Updated 7 years ago
- Materials Interface: methods in computational materials science☆26Updated 8 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- A tool for finding optimized SQS structures tool written in C++☆60Updated last month
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆30Updated 3 years ago
- ☆16Updated 5 years ago
- Examples demonstrating how to reproduce the results in the paper.☆70Updated last year
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆15Updated 5 years ago
- quick analysis of vasp calculation☆38Updated last year
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆58Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated 2 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Python package to analyse electron density & electrostatic potential grids☆89Updated 3 weeks ago
- Modules for cross validation, evaluation and plot of SISSO☆16Updated 6 years ago
- MatDeepLearn for DOS prediction☆26Updated 3 years ago
- Derivative structure enumeration library☆81Updated last year
- Band structure unfolding made easy!☆59Updated last month
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- ☆42Updated last year