quantum-monte-carlo 开源项目推荐（60 个）

deepqmc /deepqmc

Deep learning quantum Monte Carlo for electrons in real space

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

accel-brain /accel-brain-code

这个仓库的目的是在我网站上写的概念验证（PoC）和研发（R&D）背景下，制作原型作为案例研究。主要研究主题包括与表示学习相关的自编码器、基于能量模型的统计机器学习、对抗生成网络（GAN）、深度强化学习（如深度Q网络）、半监督学习以及用于自然语言处理的神经网络语言模型。

carstenbauer /MonteCarlo.jl

Classical and quantum Monte Carlo simulations in Julia

bytedance /jaqmc

JAX accelerated Quantum Monte Carlo

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.

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.

PhilipVinc /NeuralQuantum.jl

Neural-Network representation of Quantum Systems

TREX-CoE /qmckl

Quantum Monte Carlo Kernel Library

sissaschool /turborvb

Quantum Monte Carlo package, TurboRVB

XaBerr /quantum-monte-carlo-methods

Quantum Monte Carlo methods for Ising model

ltalirz /atomistic-software

Tracking citations of atomistic simulation engines

jqmc-project /jQMC

jQMC code implements two real-space ab initio quantum Monte Carlo (QMC) methods. Variatioinal Monte Carlo (VMC) and lattice regularized diffusion Monte Carlo (LRDMC) methods. jQMC achieves high-performance computations especially on GPUs.

bytedance /DeepHall

Simulating the fractional quantum Hall effect with neural network variational Monte Carlo

BorjaRequena /VMC_introduction

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

TREX-CoE /qmcchem2

QMC=Chem version 2

QMCPACK /pseudopotentiallibrary

Repository for PseudopotentialLibrary.org website and database

joaogci /SSE

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

mortele /variational-monte-carlo-fys4411

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

aromanro /VQMCMolecule

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