Data-Efficient Machine Learning Potentials from Transfer Learning of Periodic Correlated Electronic Structure Methods: Liquid Water at AFQMC, CCSD, and CCSD(T) Accuracy

Autor:	Michael S. Chen, Joonho Lee, Hong-Zhou Ye, Timothy C. Berkelbach, David R. Reichman, Thomas E. Markland
Rok vydání:	2023
Předmět:	Physical and Theoretical Chemistry Computer Science Applications
Zdroj:	Journal of Chemical Theory and Computation.
ISSN:	1549-9626 1549-9618
DOI:	10.1021/acs.jctc.2c01203
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::59f878db5d25dac548637af233b82893 https://doi.org/10.1021/acs.jctc.2c01203 Zobrazit plný text záznamu