Δ-Machine learning for quantum chemistry prediction of solution-phase molecular properties at the ground and excited states
Open Access
- 21 April 2023
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 25 (19) , 13417-13428
Abstract
We investigated the various factors impacting the performance of Δ-machine learning (Δ-ML) solution phase molecular properties.Keywords
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Funding Information
- American Chemical Society Petroleum Research Fund (65858-DNI4)
- Research Corporation for Science Advancement (#28755, #28789)
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