Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
https://github.com/w2dynamics/w2dynamics
A continuous-time hybridization-expansion Monte Carlo code for calculating n-particle Green's functions of the Anderson impurity model and within dynamical mean-field theory.
monte-carlo-simulation python quantum-monte-carlo
Last synced: 01 Jun 2024
https://github.com/carstenbauer/MonteCarlo.jl
Classical and quantum Monte Carlo simulations in Julia
julia monte-carlo numerical-physics physics quantum-monte-carlo
Last synced: 31 May 2024
https://github.com/QMCPACK/qmcpack
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
c-plus-plus cuda electronic-structure gpu high-performance-computing hpc mpi quantum-chemistry quantum-monte-carlo
Last synced: 31 May 2024
https://github.com/deepqmc/deepqmc
Deep learning quantum Monte Carlo for electrons in real space
deep-learning electrons quantum-chemistry quantum-monte-carlo
Last synced: 27 May 2024
https://github.com/mdsunivie/deeperwin
DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electron Schrödinger equation. DeepErwin supports weight-sharing when optimizing wave functions for multiple nuclear geometries and the usage of pre-trained neural network weights to accelerate optimization.
deep-learning deep-neural-networks physical-chem quantum-monte-carlo schrodinger-equation transfer-learning variational-monte-carlo weight-sharing
Last synced: 08 Apr 2024
