kostergroup / Perovskite-Device-DoctorLinks
Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning
☆15Updated 4 years ago
Alternatives and similar repositories for Perovskite-Device-Doctor
Users that are interested in Perovskite-Device-Doctor are comparing it to the libraries listed below
Sorting:
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆25Updated 2 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Updated 2 years ago
- ☆43Updated 7 years ago
- Generate random alloys and compute various properties☆59Updated 9 months ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- ☆50Updated 11 months ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated 2 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 10 months ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated last week
- Practical guide on how to use VASP☆23Updated 5 years ago
- materialsvirtuallab / Data-driven-First-Principles-Methods-for-the-Study-and-Design-of-Alkali-Superionic-ConductorsJupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Updated 4 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- ☆22Updated 2 years ago
- zeo++ fork of the LSMO☆18Updated 2 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆14Updated 3 weeks ago
- A Benchmarking Framework for Crystal GNNs☆20Updated last year
- This GitHub repository contains additional information supporting published manuscripts☆17Updated last year
- A set of tools and structures for modelling perovskite polytypes☆12Updated 2 years ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Updated 2 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- ☆68Updated 2 years ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Updated 3 weeks ago
- ☆62Updated 5 months 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)☆13Updated 4 years ago
- Tutorial exercises for the OPTIMADE API☆16Updated last year