CJBartel / perovskite-stability
☆36Updated 5 years ago
Alternatives and similar repositories for perovskite-stability:
Users that are interested in perovskite-stability are comparing it to the libraries listed below
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 2 years 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
- Tutorial for performing machine learning to predict band gaps from the K computer double perovskite dataset☆18Updated 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 3 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆45Updated 5 years ago
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆13Updated 4 years ago
- ☆47Updated 2 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated 3 weeks ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- Generate random alloys and compute various properties☆48Updated last month
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆52Updated 2 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 3 weeks ago
- Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning☆14Updated 4 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆76Updated last year
- Automatic generation of crystal structure descriptions.☆105Updated 2 weeks ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆18Updated 5 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated 3 months ago
- ☆40Updated 6 years ago
- Dealing with slabs for first principles calculations of surfaces☆59Updated last year
- A grain boundary generation code☆60Updated last year
- LAMMPS interface for phonon calculations using phonopy☆84Updated 4 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 8 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆52Updated this week
- ☆63Updated last year
- Materials Interface: methods in computational materials science☆26Updated 7 years ago
- Tool to quickly create a composition-based feature vector☆27Updated 2 years ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆22Updated 5 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆103Updated last week
- VASP Convergence Testing (for Energy & Dielectric Constants)☆51Updated 9 months ago