A machine learning workflow for calculating the electron-phonon coupling (EPC)
☆36Dec 5, 2025Updated 5 months ago
Alternatives and similar repositories for HamEPC
Users that are interested in HamEPC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix☆202May 12, 2026Updated last week
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆16Apr 24, 2026Updated 3 weeks ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆28Sep 14, 2020Updated 5 years ago
- Unsupervised learning for discovering phase transition for various spin models.☆13Mar 18, 2025Updated last year
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆59Updated this week
- ☆115Jan 27, 2026Updated 3 months ago
- WanTiBEXOS code repository☆17Apr 1, 2026Updated last month
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- Monte Carlo simulation for classical spin system implemented by metropolics/wolff_cluster... algorithm☆16Sep 25, 2024Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆47May 15, 2026Updated last week
- A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files☆17Jan 12, 2021Updated 5 years ago
- Time-reversal Euclidean neural networks based on e3nn☆19Sep 29, 2024Updated last year
- Tools for aligned reconstructions of volumetric MRI data☆10Sep 23, 2020Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals☆31Mar 14, 2026Updated 2 months ago
- ☆23Mar 18, 2024Updated 2 years ago
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆24Oct 28, 2024Updated last year
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated 3 months ago
- D3Q + thermal2☆26Nov 3, 2025Updated 6 months ago
- Interactive tutorials for the PIMD Massive Open Online Course☆24Aug 2, 2023Updated 2 years ago
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆74Feb 21, 2025Updated last year
- ☆14Mar 18, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum☆30Nov 7, 2025Updated 6 months ago
- ☆15Apr 8, 2023Updated 3 years ago
- An efficient deterministic solver for phonon BTE☆35May 12, 2026Updated last week
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆81Apr 20, 2026Updated last month
- BerkeleyGW examples☆19Feb 23, 2024Updated 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…☆28May 25, 2023Updated 2 years ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Jan 26, 2024Updated 2 years ago
- Exact Diagonalization for Hubbard model/Tight-binding model by MatheMatica☆14Jun 1, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- MACE foundation models (MP, OMAT, mh-1)☆252May 3, 2026Updated 2 weeks ago
- The latest documentation for the Materials Project.☆13May 12, 2026Updated last week
- The Temperature Dependent Effective Potentials (TDEP) code☆115Mar 31, 2026Updated last month
- A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO☆18Feb 23, 2026Updated 3 months ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆64May 15, 2026Updated last week
- A toolkit for visualizations in materials informatics.☆314May 16, 2026Updated last week
- Various Classical Deep-learning Algorithm coded by Tensorflow and Pytorch framework☆15Sep 23, 2022Updated 3 years ago