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

Language: C++ - Size: 396 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 335 - Forks: 147

accel-brain/accel-brain-code

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 networks(GANs), Deep Reinforcement Learning such as Deep Q-Networks, semi-supervised learning, and neural network language model for natural language processing.

Language: Python - Size: 98.3 MB - Last synced at: about 6 hours ago - Pushed at: over 1 year ago - Stars: 313 - Forks: 92

ryuikaneko/kitaev_model_quantum_monte_carlo

Language: C - Size: 144 KB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 1 - Forks: 0

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.

Language: Fortran - Size: 684 KB - Last synced at: 13 days ago - Pushed at: 13 days ago - Stars: 49 - Forks: 23

carstenbauer/MonteCarlo.jl

Classical and quantum Monte Carlo simulations in Julia

Language: Julia - Size: 7.69 MB - Last synced at: 13 days ago - Pushed at: over 1 year ago - Stars: 197 - Forks: 20

SuvamT0071/QuantumMonte

Hey Physics Geeks! Here's a small code on using Variational Monte Carlo methods on Quantum Mechanical systems. Go ahead and try it out :D

Language: Jupyter Notebook - Size: 1.98 MB - Last synced at: 17 days ago - Pushed at: 17 days ago - Stars: 0 - Forks: 0

bytedance/DeepHall

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

Language: Python - Size: 1.44 MB - Last synced at: 19 days ago - Pushed at: 19 days ago - Stars: 13 - Forks: 4

TREX-CoE/qmckl

Quantum Monte Carlo Kernel Library

Language: C - Size: 13 MB - Last synced at: 22 days ago - Pushed at: 22 days ago - Stars: 35 - Forks: 15

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: 23.3 MB - Last synced at: 17 days ago - Pushed at: about 1 month ago - Stars: 54 - Forks: 8

TREX-CoE/qmcchem2

QMC=Chem version 2

Language: Fortran - Size: 415 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 19 - Forks: 6

deepqmc/deepqmc

Deep learning quantum Monte Carlo for electrons in real space

Language: Python - Size: 82.1 MB - Last synced at: 19 days ago - Pushed at: 7 months ago - Stars: 379 - Forks: 63

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 at: about 1 month ago - Pushed at: about 4 years ago - Stars: 18 - Forks: 2

Konjkov/pycasino

Python realisation of Casino (QMC) program

Language: Python - Size: 32.8 MB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 5 - Forks: 0

joaogci/SSE

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

Language: C - Size: 518 KB - Last synced at: about 1 month ago - Pushed at: 10 months ago - Stars: 14 - Forks: 5

ltalirz/atomistic-software

Tracking citations of atomistic simulation engines

Language: JavaScript - Size: 64.4 MB - Last synced at: about 1 month ago - Pushed at: about 2 months ago - Stars: 19 - Forks: 12

TheChenGroup/ferminet-force

Calculating Force in FermiNet

Language: Python - Size: 82 KB - Last synced at: about 1 month ago - Pushed at: about 2 months ago - Stars: 0 - Forks: 0

sissaschool/turborvb

Quantum Monte Carlo package, TurboRVB

Language: Fortran - Size: 22.8 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 30 - Forks: 7

kousuke-nakano/turbogenius

Python wrappers for TurboRVB

Language: Python - Size: 6.96 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 7 - Forks: 2

lukas-weber/qed-afqmc-data

Research data for “Phaseless auxilliary-field Quantum Monte Carlo method for cavity-QED matter systems”.

Language: Julia - Size: 2.96 MB - Last synced at: about 2 months ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0

regymm/fpga-mcmc

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

Language: Tcl - Size: 1.13 MB - Last synced at: 5 days ago - Pushed at: almost 4 years ago - Stars: 8 - Forks: 2

dhryniuk/VMPOMC

Variational Matrix Product Operator Monte Carlo

Language: Julia - Size: 292 KB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 2 - Forks: 0

PhilipVinc/NeuralQuantum.jl

Neural-Network representation of Quantum Systems

Language: Julia - Size: 819 KB - Last synced at: 2 months ago - Pushed at: about 5 years ago - Stars: 39 - Forks: 7

tommasoperitoree/Numerical_Simulation_Laboratory

Project developed for the Numeric Simulation Laboratory A.A. 2023-2024, held by professor Davide Emilio Galli at the University of Milan, Physics Department.

Language: Jupyter Notebook - Size: 203 MB - Last synced at: 11 months ago - Pushed at: 11 months ago - Stars: 0 - Forks: 0

QMCPACK/pseudopotentiallibrary

Repository for PseudopotentialLibrary.org website and database

Language: PHP - Size: 52.4 MB - Last synced at: 11 months ago - Pushed at: 11 months ago - Stars: 12 - Forks: 14

aromanro/VQMCMolecule

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

Language: C++ - Size: 203 KB - Last synced at: about 2 months ago - Pushed at: over 1 year ago - Stars: 13 - Forks: 4

ChinmayKhasnis7/Path-Integral-QMC

This repository contains Python implementation Path integral Quantum Monte-Carlo to find the ground state energy of the harmonic oscillator.

Language: Python - Size: 25.4 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

wangleiphy/SpinlesstV-LCT-INT

Efficient continuous-time quantum Monte Carlo method for spinless fermions

Language: Python - Size: 924 KB - Last synced at: about 1 year ago - Pushed at: over 2 years ago - Stars: 7 - Forks: 7

nitroamos/QMcBeaver

Quantum Monte Carlo

Language: C++ - Size: 6.46 MB - Last synced at: over 1 year ago - Pushed at: over 6 years ago - Stars: 1 - Forks: 0

ivarhaugerud/FYS3150

My work in the course "FYS3150 - Computational physics" at UiO. This was done in collaboration with Cecilie Glittum (https://github.uio.no/cecilgl). The original github repository can be found at https://github.uio.no/cecilgl/FYS4150

Language: C++ - Size: 8.66 MB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 2 - Forks: 2

AllanChain/VariationalMC.jl

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

Language: Julia - Size: 733 KB - Last synced at: 3 months ago - Pushed at: over 2 years ago - Stars: 1 - Forks: 0

Dario-Maglio/Path_Integral_for_Harmonic_Oscillator

Numerical simulation of the Quantum Harmonic Oscillator using the Path Integral formalism and MC method.

Language: C++ - Size: 493 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 1

matteopicciolini/Numeric-Simulation-Laboratory

Project developed for the Numeric Simulation Laboratory A.A. 2022-2023, held by professor Davide Emilio Galli at the University of Milan, Physics Department.

Language: Jupyter Notebook - Size: 214 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0

LorenzoCiorra/LSN

Repository per gli esercizi del Laboratorio di Simulazione Numerica ed.2023

Language: Jupyter Notebook - Size: 51.9 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 1 - 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 at: about 2 years ago - Pushed at: about 2 years ago - Stars: 6 - Forks: 29

XaBerr/quantum-monte-carlo-methods

Quantum Monte Carlo methods for Ising model

Language: C++ - Size: 180 KB - Last synced at: about 2 years ago - Pushed at: about 4 years ago - Stars: 17 - Forks: 4

nscottnichols/erroranalysis-py

Generate error bars and perform binning analysis using jackknife or bootstrap resampling. Calculate average and error in quantum Monte Carlo data (or other data) and on functions of averages (such as fluctuations, skew, and kurtosis).

Language: Python - Size: 2.42 MB - Last synced at: 6 days ago - Pushed at: over 4 years ago - Stars: 3 - Forks: 1

joaogci/FYS4411-pimc

Project 2 for the course FYS4411 Computational Physics II. Path Integral Monte Carlo on boson systems and the Heisenberg model.

Language: Python - Size: 8.71 MB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0

chrinide/Amolqc Fork of luechow-group/Amolqc

Size: 2.89 MB - Last synced at: about 2 years ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 0

chrinide/CHAMP Fork of QMC-Cornell/CHAMP

Cornell-Holland Ab-initio Materials Package

Size: 10.7 MB - Last synced at: about 2 years ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 0

chrinide/qmckl Fork of TREX-CoE/qmckl

Quantum Monte Carlo Kernel Library

Size: 8.65 MB - Last synced at: about 2 years ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0

carstenbauer/MonteCarloObservable.jl

Observable for Markov chain Monte Carlo simulations

Language: Julia - Size: 3.93 MB - Last synced at: 2 months ago - Pushed at: about 4 years ago - Stars: 4 - Forks: 4

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 at: about 2 years ago - Pushed at: over 7 years ago - Stars: 0 - Forks: 0