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Machine Learning Predictions of Simulated Self-Diffusion Coefficients for Bulk and Confined Pure Liquids.

Authors :
Leverant, Calen J.
Greathouse, Jeffery A.
Harvey, Jacob A.
Alam, Todd M.
Source :
Journal of Chemical Theory & Computation; 6/13/2023, Vol. 19 Issue 11, p3054-3062, 9p
Publication Year :
2023

Details

Language :
English
ISSN :
15499618
Volume :
19
Issue :
11
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
164297599
Full Text :
https://doi.org/10.1021/acs.jctc.2c01040