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Abstract
A reinforcement learning algorithm is developed for the selected configuration interaction problem. We explore how reinforcement learning can obtain compact wave functions at near full configuration interaction accuracy.
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DOI
Funding
Basic Energy Sciences
DE-SC0021100
From Accurate Variational Relativistic Electronic Structure Theory to Practical Applications in Heavy-Element Chemistry
Directorate for Computer & Information Science & Engineering
1663636
SI2-SSI: Sustainable Open-Source Quantum Dynamics and Spectroscopy Software
Author’s competing interest statement
No conflict of interest
Keywords
Reinforcement Learning
Strong Correlation
Machine Learning
Quantum Chemistry
Electronic Structure
Computational Chemistry
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This content is an early or alternative research output and has not been peer-reviewed at the time of posting.
