Deep learning quantum Monte Carlo for electrons in real space
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Oct 23, 2024 - Python
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quantum-monte-carlo
Here are 37 public repositories matching this topic...
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…
reinforcement-learning deep-learning deep-reinforcement-learning q-learning lstm generative-adversarial-network semi-supervised-learning restricted-boltzmann-machine transfer-learning simulated-annealing deep-q-network automatic-summarization combinatorial-optimization quantum-monte-carlo auto-encoder quantum-annealing energy-based-model self-supervised-learning multi-agent-reinforcement-learning
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Dec 26, 2023 - Python
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
c-plus-plus hpc gpu mpi cuda high-performance-computing quantum-chemistry quantum-monte-carlo electronic-structure
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Dec 20, 2024 - C++
Classical and quantum Monte Carlo simulations in Julia
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Oct 29, 2023 - 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.
deep-neural-networks deep-learning transfer-learning schrodinger-equation quantum-monte-carlo variational-monte-carlo weight-sharing physical-chem
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Dec 19, 2024 - Python
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.
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Sep 12, 2024 - Fortran
Neural-Network representation of Quantum Systems
machine-learning neural-network quantum quantum-optics quantum-monte-carlo quantum-state steady-states
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Apr 29, 2020 - Julia
Quantum Monte Carlo package, TurboRVB
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Nov 13, 2024 - Fortran
Quantum Monte Carlo methods for Ising model
quantum quantum-computing simulated-annealing ising-model spin quantum-monte-carlo ising quantum-annealing swendsen-wang simulated-quantum-annealing rieger-kawashima santoro-tosatti-martonak
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Mar 3, 2021 - C++
Tracking citations of atomistic simulation engines
molecular-dynamics density-functional-theory tight-binding quantum-chemistry atomistic-simulations quantum-monte-carlo electronic-structure force-fields atomistic-simulation-engine
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Dec 23, 2024 - JavaScript
QMC=Chem version 2
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Dec 3, 2024 - Fortran
Introduction to quantum Monte Carlo. From the foundations to state-of-the-art Restricted Boltzmann Machine ansatz.
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Apr 12, 2021 - Jupyter Notebook
Repository for PseudopotentialLibrary.org website and database
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Jul 3, 2024 - PHP
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
physics quantum quantum-mechanics wxwidgets computational-physics quantum-chemistry computational langevin wxwidgets-applications quantum-chemistry-programs quantum-monte-carlo variational-monte-carlo quantum-chemistry-methods fokker-planck
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Feb 8, 2024 - C++
Example class structure for use in FYS4411: Quantum mechanical systems at UiO.
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Mar 28, 2023 - C++
Implementation of Stochastic Series Expansion Monte Carlo method for the spin-S XXZ model. https://doi.org/10.1103/PhysRevE.67.046701
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Jul 24, 2024 - C
Efficient continuous-time quantum Monte Carlo method for spinless fermions
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Dec 15, 2022 - Python
FPGA accelerated Path Integral Monte Carlo. Project for computational physics.
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Jun 22, 2021 - Tcl
Python wrappers for TurboRVB
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Oct 2, 2024 - Python
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