Deep learning quantum Monte Carlo for electrons in real space

The purpose of this repository is to make prototypes as case study in the context of proof of concept(PoC) and research and development(R&D) that I have written in my website. The main research topics are Auto-Encoders in relation to the representation learning, the statistical machine learning for energy-based models, adversarial generation net…

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

Classical and quantum Monte Carlo simulations in Julia

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.

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.

Neural-Network representation of Quantum Systems

Quantum Monte Carlo Kernel Library

Quantum Monte Carlo package, TurboRVB

Quantum Monte Carlo methods for Ising model

QMC=Chem version 2

Tracking citations of atomistic simulation engines

Introduction to quantum Monte Carlo. From the foundations to state-of-the-art Restricted Boltzmann Machine ansatz.

Repository for PseudopotentialLibrary.org website and database

Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach

Example class structure for use in FYS4411: Quantum mechanical systems at UiO.

Implementation of Stochastic Series Expansion Monte Carlo method for the spin-S XXZ model. https://doi.org/10.1103/PhysRevE.67.046701

Efficient continuous-time quantum Monte Carlo method for spinless fermions

FPGA accelerated Path Integral Monte Carlo. Project for computational physics.

Python wrappers for TurboRVB