vxfung / MatDeepLearn_DOS
MatDeepLearn for DOS prediction
☆21Updated 2 years ago
Related projects ⓘ
Alternatives and complementary repositories for MatDeepLearn_DOS
- scripts to load all data from ICSD, Materials Project, and OQMD☆51Updated 2 years ago
- ☆62Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆17Updated last month
- Site-Occupation Disorder☆37Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆32Updated 10 months ago
- 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
- Defect analysis modules for pymatgen☆41Updated this week
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆41Updated 5 months ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆16Updated 5 years ago
- An algorithm to match crystal structures atom-to-atom☆51Updated last year
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 2 years ago
- ASE interface for fully constant potential with VASP☆27Updated last month
- Generate random alloys and compute various properties☆46Updated 5 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆21Updated 6 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆46Updated 3 months ago
- Some ongoing projects in Zhu's group☆26Updated 7 months ago
- Generating Deep Potential with Python☆62Updated this week
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆79Updated this week
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆19Updated 5 months ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆22Updated 6 months ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 2 years ago
- ☆22Updated 2 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆65Updated this week
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆20Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- ☆37Updated 9 months ago