kostergroup / Perovskite-Device-Doctor
Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning
☆14Updated 4 years ago
Related projects ⓘ
Alternatives and complementary repositories for Perovskite-Device-Doctor
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 2 years ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆23Updated 2 months ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆18Updated last year
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆21Updated 6 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆16Updated 5 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆13Updated last year
- A set of tools and structures for modelling perovskite polytypes☆11Updated last year
- 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
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆12Updated 3 years ago
- High-throughput DFT of MOFs using ASE/VASP☆25Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆12Updated 3 weeks ago
- ☆26Updated last month
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆27Updated last year
- ☆39Updated 6 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 8 months ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated 11 months ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆12Updated 4 years ago
- Ferroelectric/Ferroelastic domain wall builder☆16Updated last month
- Dealing with slabs for first principles calculations of surfaces☆55Updated last year
- ☆24Updated last year
- Automatic search for the most stable magnetic state of a given structure☆20Updated last year
- ASE interface for fully constant potential with VASP☆27Updated last month
- MatDeepLearn for DOS prediction☆21Updated 2 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆32Updated 10 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 3 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated last year
- quick analysis of vasp calculation☆35Updated 5 months ago
- Practical guide on how to use VASP☆17Updated 4 years ago