Deep learning quantum Monte Carlo for electrons in real space
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Updated
Aug 14, 2024 - Python
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
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.
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.
Neural-Network representation of Quantum Systems
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
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