salinelake / OpenFerroLinks
JAX-based framework for Lattice Hamiltonian simulation
☆20Updated 4 months ago
Alternatives and similar repositories for OpenFerro
Users that are interested in OpenFerro are comparing it to the libraries listed below
Sorting:
- Extended DeepH (xDeepH) method for magnetic materials.☆40Updated 2 years ago
- A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.☆11Updated 3 years ago
- Python-based plane wave density functional theory code for educational purposes☆33Updated 10 months ago
- python workflow toolkit☆43Updated last month
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆22Updated 2 years ago
- DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.☆101Updated last week
- Pretrained model for molecular wavefunctions☆55Updated 2 weeks ago
- ☆112Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆56Updated 3 weeks ago
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆41Updated 2 weeks ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆69Updated 3 weeks ago
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility in pure Python.☆34Updated last week
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆30Updated this week
- ☆112Updated 7 months ago
- NIST Interatomic Potential Repository property calculation tools☆12Updated 5 months ago
- ☆45Updated last year
- UF3: a python library for generating ultra-fast interatomic potentials☆70Updated 7 months ago
- Compute neighbor lists for atomistic systems☆72Updated this week
- ☆13Updated 10 months ago
- ☆21Updated last year
- Jupyter notebooks for the lectures of the Introduction to Atomistic Modeling☆36Updated 6 months ago
- A general purpose library to study vibrational problems using diffusion monte carlo☆17Updated last year
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆72Updated 8 months ago
- ☆28Updated 3 years ago
- Tools to interface ChIMES with various external codes.☆25Updated 5 months ago
- HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals☆29Updated last year
- Collection of Tutorials on Machine Learning Interatomic Potentials☆25Updated last year
- A widget to visualize and edit atomic structures in Jupyter Notebook☆46Updated this week
- A Python library and command line interface for automated free energy calculations☆86Updated last month