july0516 / machine_learning_perovskite_tutorial
Tutorial for performing machine learning to predict band gaps from the K computer double perovskite dataset
☆18Updated 5 years ago
Alternatives and similar repositories for machine_learning_perovskite_tutorial:
Users that are interested in machine_learning_perovskite_tutorial are comparing it to the libraries listed below
- ☆36Updated 5 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 2 years ago
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆13Updated 4 years ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆20Updated 2 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆13Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆42Updated 3 months ago
- Construct phonon tight-binding model and calculate its topological properties☆24Updated 5 years ago
- Ferroelectric/Ferroelastic domain wall builder☆17Updated 3 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- some toolkits for VASP☆28Updated 3 years ago
- Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning☆14Updated 4 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- Full data of our published papers☆12Updated 6 years ago
- ☆37Updated 11 months ago
- ☆16Updated 5 years ago
- DFT post processing tools☆23Updated 6 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆23Updated 4 months ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆41Updated last year
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 9 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
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- quick analysis of vasp calculation☆35Updated 7 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆54Updated 2 weeks ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆20Updated last year
- generator of simple atomistic models☆24Updated 6 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 9 months ago