ninarina12 / phononDoS_tutorialLinks
Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
☆31Updated last year
Alternatives and similar repositories for phononDoS_tutorial
Users that are interested in phononDoS_tutorial are comparing it to the libraries listed below
Sorting:
- Tools for Phono(3)py power users.☆34Updated last year
- TB3Py: Two- and three-body tight-binding calculations for materials☆17Updated 10 months ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- ☆42Updated 7 years ago
- Phonons from ML force fields☆23Updated last month
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Visualize vibrational modes from VASP calculations☆42Updated 7 months ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆35Updated last year
- Python package to analyse the structural dynamics of perovskites☆44Updated 8 months ago
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- ☆23Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 4 months ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆29Updated 11 months ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 5 months ago
- ☆67Updated 2 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…☆23Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆49Updated 3 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- Wyckoff Inorganic Crystal Generator Framework☆22Updated 5 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated 2 months ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆50Updated last week
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆35Updated 5 months ago
- ☆13Updated 2 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Unsupervised landmark analysis for jump detection in molecular dynamics simulations.☆13Updated 4 years ago
- Band structure unfolding made easy!☆53Updated this week