CJBartel / perovskite-stability
☆35Updated 5 years ago
Related projects ⓘ
Alternatives and complementary repositories for perovskite-stability
- Tutorial for performing machine learning to predict band gaps from the K computer double perovskite dataset☆17Updated 5 years ago
- Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX…☆22Updated 2 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆13Updated 4 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 2 years ago
- Generate random alloys and compute various properties☆46Updated 4 months ago
- code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…☆25Updated 6 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆70Updated last year
- ☆64Updated 3 years ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆55Updated last year
- Automatic generation of crystal structure descriptions.☆103Updated this week
- A grain boundary generation code☆56Updated last year
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆64Updated 8 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆45Updated 5 years ago
- ☆39Updated 6 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 2 years ago
- ☆46Updated 2 years ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆24Updated last month
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 8 months ago
- LAMMPS interface for phonon calculations using phonopy☆84Updated 2 months ago
- ☆12Updated 2 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆46Updated 3 months ago
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆90Updated 5 years ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆21Updated 6 months ago
- ☆62Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆112Updated this week
- Python package to analyse electron density & electrostatic potential grids☆83Updated 10 months ago
- Tool to quickly create a composition-based feature vector☆25Updated 2 years ago