kostergroup / Perovskite-Device-Doctor
Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning
☆13Updated 3 years ago
Related projects: ⓘ
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆16Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆14Updated 5 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆21Updated 4 months ago
- 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.☆20Updated last week
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆12Updated 5 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆29Updated 2 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆13Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆42Updated 5 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆41Updated last month
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆11Updated 3 years ago
- Ferroelectric/Ferroelastic domain wall builder☆15Updated 3 weeks ago
- ☆40Updated 6 years ago
- A set of tools and structures for modelling perovskite polytypes☆11Updated last year
- 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
- ☆44Updated 2 years ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Updated 3 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆46Updated 4 months ago
- ☆24Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Generate random alloys and compute various properties☆42Updated 3 months ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆20Updated last year
- Dealing with slabs for first principles calculations of surfaces☆52Updated last year
- Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.☆25Updated last month
- A lightweight python package for reading and writing VASP ML_AB files☆28Updated 8 months ago
- ASE interface for fully constant potential with VASP☆23Updated last month
- Some useful vasp scripts and tools☆21Updated 4 years ago
- A Python suite for manipulating VASP input and output☆44Updated 3 months ago
- Automatic search for the most stable magnetic state of a given structure☆18Updated last year
- quick analysis of vasp calculation☆34Updated 3 months ago