CJBartel / perovskite-stability
☆37Updated 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
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- Tutorial for performing machine learning to predict band gaps from the K computer double perovskite dataset☆19Updated 5 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 3 years ago
- code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…☆27Updated 6 years ago
- Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX…☆23Updated 3 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated last week
- LAMMPS plugins for thermal conductivity and density of states calculation☆47Updated 6 years ago
- ☆50Updated 2 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆58Updated last week
- Visualize vibrational modes from VASP calculations☆41Updated 3 months ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆56Updated 2 years ago
- Tool to quickly create a composition-based feature vector☆27Updated 3 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- quick analysis of vasp calculation☆35Updated 11 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 5 years ago
- generator of simple atomistic models☆27Updated 6 years ago
- ☆38Updated last year
- ☆67Updated 2 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- Band structure unfolding made easy!☆53Updated 2 weeks ago
- ☆68Updated 4 years ago
- MatDeepLearn for DOS prediction☆24Updated 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…☆70Updated last year
- A grain boundary generation code☆66Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 6 months ago
- Course materials for NANO 106 - Crystallography of Materials☆34Updated 2 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆20Updated 2 weeks ago
- A Python suite for manipulating VASP input and output☆46Updated 10 months ago
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year