A Kaczmarz-inspired approach to accelerate the optimization of neural network wavefunctions

Neural network wavefunctions optimized using the variational Monte Carlo method have been shown to produce highly accurate results for the electronic structure of atoms and small molecules, but the high cost of optimizing such wavefunctions prevents their application to larger systems. We propose th...

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Bibliographic Details

Published in:	Journal of computational physics Vol. 516; p. 113351
Main Authors:	Goldshlager, Gil, Abrahamsen, Nilin, Lin, Lin
Format:	Journal Article
Language:	English
Published:	United States Elsevier Inc 01.11.2024 Elsevier
ISSN:	0021-9991
Online Access:	Get full text
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