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.

Language: Python - Size: 8.21 MB - Last synced: about 12 hours ago - Pushed: 3 days ago - Stars: 45 - Forks: 6

cqsl/mps-rnn

Code for 'From Tensor Network Quantum States to Tensorial Recurrent Neural Networks'.

Language: Python - Size: 31.3 KB - Last synced: 5 days ago - Pushed: 5 days ago - Stars: 20 - Forks: 2

bsamseth/qflow

Quantum Variational Monte Carlo with Neural Networks - Project repository for my master's thesis in computational physics at the University of Oslo

Language: C++ - Size: 44.8 MB - Last synced: 2 days ago - Pushed: 11 months ago - Stars: 9 - Forks: 3

refraction-ray/admc

Infinite order automatic differentiation for Monte Carlo with unnormalized probability distribution

Size: 115 KB - Last synced: 8 days ago - Pushed: about 1 year ago - Stars: 21 - Forks: 4

cevenkadir/NeuralQuantumStates.jl

Neural quantum states in Julia

Language: Julia - Size: 129 KB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 1 - Forks: 0

netket/netket

Machine learning algorithms for many-body quantum systems

Language: Python - Size: 62.6 MB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 498 - Forks: 170

wdphy16/stat-mech-van

Code for 'Solving Statistical Mechanics using Variational Autoregressive Networks'.

Language: Python - Size: 28.3 KB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 86 - Forks: 27

cqsl/sparse-twobody-arnn

Language: Python - Size: 1.19 MB - Last synced: about 2 months ago - Pushed: 3 months ago - Stars: 2 - Forks: 1

HUJI-Deep/FlowKet

A framework based on Tensorflow for running variational Monte-Carlo simulations of quantum many-body systems.

Language: Python - Size: 10.5 MB - Last synced: 7 days ago - Pushed: over 3 years ago - Stars: 37 - Forks: 11

yvesantonio/Data_Assimilation

Advanced Data Assimilation Algorithms and Methods

Language: MATLAB - Size: 1.04 MB - Last synced: 4 months ago - Pushed: about 3 years ago - Stars: 3 - Forks: 1

BCarnaval/dvmc-impurity-solver

Dynamical Variational Monte Carlo (dVMC) method implemented and published in arxiv:1912.09960

Language: C - Size: 7.78 MB - Last synced: 3 months ago - Pushed: 3 months ago - Stars: 1 - Forks: 1

AllanChain/VariationalMC.jl

Performing variational quantum Monte Carlo (VMC) in Julia. For educational purposes.

Language: Julia - Size: 733 KB - Last synced: about 2 months ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0

aromanro/VQMCMolecule

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

Language: C++ - Size: 192 KB - Last synced: 4 months ago - Pushed: 4 months ago - Stars: 12 - Forks: 4

StefanoBarison/Example_code

This repository is intended to be a showcase and will contain code that I've been writing over the years on a bunch of different topics such as Variational Monte Carlo , genetic algorithms, machine learning, quantum chemistry simulations, ...

Language: Jupyter Notebook - Size: 432 KB - Last synced: 10 months ago - Pushed: about 4 years ago - Stars: 1 - Forks: 1

dkkim1005/Neural_Network_Quantum_State

Neural network ansatz to approximate a ground state by using variational Monte Carlo (VMC)

Language: Cuda - Size: 377 KB - Last synced: 10 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 2

twesterhout/annealing-sign-problem

📝 Code for the paper "Many-body quantum sign structures as non-glassy Ising models"

Language: Python - Size: 2.27 MB - Last synced: about 2 months ago - Pushed: 10 months ago - Stars: 2 - Forks: 1

nikosavola/NeuralNetworkQuantumState

Group work for Solid State physics course at Aalto University

Language: Python - Size: 1.18 MB - Last synced: 4 months ago - Pushed: about 2 years ago - Stars: 2 - Forks: 0

cqsl/neural-cluster-update

Code for 'Unbiased Monte Carlo Cluster Updates with Autoregressive Neural Networks'.

Language: Python - Size: 30.3 KB - Last synced: about 2 months ago - Pushed: over 2 years ago - Stars: 8 - Forks: 0

mortele/variational-monte-carlo-fys4411

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

Language: C++ - Size: 62.5 KB - Last synced: about 1 year ago - Pushed: about 1 year ago - Stars: 6 - Forks: 29

hwchen2017/neural_network_quantum_state

Neural Network Quantum State

Language: Jupyter Notebook - Size: 196 KB - Last synced: about 1 year ago - Pushed: almost 2 years ago - Stars: 4 - Forks: 0

hwchen2017/Lanczos_Neural_Network_Quantum_State

Supporting code for "Systematic improvement of neural network quantum states using Lanczos (NeurIPS 2022)""

Language: C++ - Size: 131 KB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0

BorjaRequena/VMC_introduction

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

Language: Jupyter Notebook - Size: 2.32 MB - Last synced: over 1 year ago - Pushed: about 3 years ago - Stars: 8 - Forks: 1

joaogci/FYS4411-vmc

Project 1 for the course FYS4411 Computational Physics II at the University of Oslo.

Language: C++ - Size: 214 MB - Last synced: 4 months ago - Pushed: about 2 years ago - Stars: 1 - Forks: 0

nico0407/He-ground-state

The aim of this project is to compute the Helium nucleus ground state under an harmonic oscilator potential, using variational Montecarlo model and diffusion Montecarlo model.

Language: Jupyter Notebook - Size: 10.7 MB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 0 - Forks: 0

chaeyeunpark/yannq

Header only library for neural network quantum states

Language: C++ - Size: 750 KB - Last synced: over 1 year ago - Pushed: almost 3 years ago - Stars: 7 - Forks: 0

joaosds/1DVMC

Variational Monte Carlo implemented for the 1D Heisenberg Model and the Haldane-Shastry Model using a Gutzwiller projected wave function as the initial ansatz. (Fortran90)

Language: Fortran - Size: 193 KB - Last synced: about 1 year ago - Pushed: almost 4 years ago - Stars: 1 - Forks: 0

ryuikaneko/codes_for_my_publications

Language: C - Size: 132 KB - Last synced: about 1 year ago - Pushed: over 1 year ago - Stars: 0 - Forks: 1

ryuikaneko/mvmc_spin_liquid

Size: 17.6 KB - Last synced: about 1 year ago - Pushed: over 2 years ago - Stars: 1 - Forks: 0

MauroCE/Dissertation

Third year mathematics dissertation on variational, laplace and mcmc approximations of bayesian logistic regression

Language: Jupyter Notebook - Size: 50.5 MB - Last synced: over 1 year ago - Pushed: over 4 years ago - Stars: 1 - Forks: 2

ryuikaneko/mvmc_spin_jastrow

Language: C - Size: 19.5 KB - Last synced: about 1 year ago - Pushed: about 4 years ago - Stars: 0 - Forks: 0

ryuikaneko/mvmc_hartree_fock

Language: Python - Size: 2.63 MB - Last synced: about 1 year ago - Pushed: over 4 years ago - Stars: 0 - Forks: 1

ryuikaneko/mvmc_noninteracting

Language: Python - Size: 209 KB - Last synced: about 1 year ago - Pushed: over 4 years ago - Stars: 0 - Forks: 1

mortele/VMC

Variational Monte Carlo solver for atoms and diatomic molecules written from scratch in C++. It is possible to use the output HF basis from github.com/mortele/Hartree-Fock as the Slater determinant and let the VMC scheme optimize only the Jastrow factor.

Language: C++ - Size: 144 KB - Last synced: about 1 year ago - Pushed: over 6 years ago - Stars: 0 - Forks: 0