Coarse-Grained Force Field Calibration Based on Multiobjective Bayesian Optimization to Simulate Water Diffusion in Poly-ε-caprolactone

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2020-06, Vol.124 (24), p.5042-5052
Main Authors: Sestito, Jesse M., Thatcher, Mary L., Shu, Leshi, Harris, Tequila A. L., Wang, Yan
Format: Article
Language:English
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ISSN:1089-5639
1520-5215
DOI:10.1021/acs.jpca.0c01939