july0516 / machine_learning_perovskite_tutorialLinks
Tutorial for performing machine learning to predict band gaps from the K computer double perovskite dataset
☆22Updated 6 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
Sorting:
- ☆41Updated 6 years ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆28Updated 3 months ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated 2 years ago
- Automatic search for the most stable magnetic state of a given structure☆25Updated 2 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
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆30Updated 3 years ago
- ☆18Updated 6 years ago
- ☆42Updated last year
- Software to study polarization and topological properties of crystalline solids☆31Updated last year
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆23Updated 3 years ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆17Updated 7 years ago
- Band structure of bulk 2H-phase MoS2☆30Updated 3 years ago
- Band structure unfolding made easy!☆60Updated last month
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆15Updated 5 years ago
- Script to generate distorted perovskite structures☆13Updated 2 years ago
- quick analysis of vasp calculation☆38Updated last year
- DFT post processing tools☆26Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- some toolkits for VASP☆34Updated 4 years ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆37Updated 4 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Updated 6 years ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆14Updated 3 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 2 weeks ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆65Updated 2 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- Full data of our published papers☆12Updated 7 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆35Updated 2 years ago
- ☆23Updated 5 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆33Updated last month