Convergence to the fixed-node limit in deep variational Monte Carlo-Reference-Cited by-同舟云学术

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Convergence to the fixed-node limit in deep variational Monte Carlo

Published:2021-03-28 Issue:12 Volume:154 Page:124108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Schätzle Z.¹^ORCID,Hermann J.¹²^ORCID,Noé F.¹³⁴^ORCID

Affiliation:

1. FU Berlin, Department of Mathematics and Computer Science, Arnimallee 6, 14195 Berlin, Germany

2. TU Berlin, Machine Learning Group, Marchstr. 23, 10587 Berlin, Germany

3. FU Berlin, Department of Physics, Arnimallee 14, 14195 Berlin, Germany

4. Rice University, Department of Chemistry, Houston, Texas 77005, USA

Funder

H2020 European Research Council

Berlin Mathematics Research Center

BIFOLD

Technische Universität Berlin

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0032836

Reference36 articles.

1. Quantum Monte Carlo simulations of solids

2. Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions

3. A deep neural network for molecular wave functions in quasi-atomic minimal basis representation

4. Solving the quantum many-body problem with artificial neural networks

5. Fermionic neural-network states for ab-initio electronic structure

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1. Neural-network quantum states for ultra-cold Fermi gases;Communications Physics;2024-05-08

2. Machine learning one-dimensional spinless trapped fermionic systems with neural-network quantum states;Physical Review A;2023-12-29

3. QMCTorch: a PyTorch Implementation of Real-Space Quantum Monte Carlo Simulations of Molecular Systems;Journal of Open Source Software;2023-11-21

4. DeepQMC: An open-source software suite for variational optimization of deep-learning molecular wave functions;The Journal of Chemical Physics;2023-09-06

5. Ab initio quantum chemistry with neural-network wavefunctions;Nature Reviews Chemistry;2023-08-09

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