phys-tools / pi-qmcLinks
Path integral quantum Monte Carlo
☆27Updated 11 years ago
Alternatives and similar repositories for pi-qmc
Users that are interested in pi-qmc are comparing it to the libraries listed below
Sorting:
- PIMC++ : Path Integral Monte Carlo suite☆17Updated 10 years ago
- The mainline development distribution for QWalk☆35Updated 5 years ago
- Materials used in a school on QMC methods☆26Updated 5 years ago
- Machine learning framework for electronic structure prediction of molecules☆19Updated 7 years ago
- A set of lecture notes on path-integral quantum Monte Carlo☆14Updated 3 years ago
- Automatically differentiable atomistic potentials for molecular simulations☆55Updated 6 years ago
- Simple path integral Monte Carlo☆9Updated 8 years ago
- Python energy landscape explorer☆98Updated 6 years ago
- Plane Wave Density Functional Theory Code for the GPU☆12Updated 10 years ago
- Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.☆34Updated last year
- Modified fork of Ju Li's atomistic configuration viewer (http://li.mit.edu/Archive/Graphics/A/)☆29Updated 8 years ago
- A Universal Force Engine☆36Updated 6 years ago
- Lattice gas Monte Carlo simulation code☆32Updated 4 years ago
- Density Matrix Renormalization Group (DMRG) in Python☆27Updated 13 years ago
- Open source stochastic quantum chemistry☆76Updated last month
- A fully autodifferentiable and variational HF☆42Updated 4 years ago
- Benchmark data for density-functional theory method development.☆14Updated last week
- Quantum systems containing matrix elements for second quantized solvers☆10Updated 7 months ago
- This is a mirror. Please check our main website on gitlab.☆29Updated 3 weeks ago
- ☆15Updated 5 years ago
- Python framework for generating and validating pseudo potentials☆44Updated last year
- Molecular dynamics trajectory analysis in Tensorflow☆37Updated 7 years ago
- A poor man's density functional theory program☆13Updated 7 months ago
- classical density-functional theory☆32Updated 2 years ago
- Monte Carlo and parallel tempering routines built on the pele foundation☆21Updated last year
- a Python3 library for ML modeling materials properties☆11Updated 5 years ago
- many-body perturbation theory without empty states☆12Updated 6 years ago
- C++ and Python library for Polarizable Embedding☆22Updated 9 months ago
- Sky-MoCa Skyrmion - Monte Carlo: Simulated annealing for a 3D spin lattice in Julia☆14Updated 5 years ago
- Python library for advanced atomistic simulations☆23Updated 7 years ago