Coarse-Grained Force Field Calibration Based on Multiobjective Bayesian Optimization to Simulate Water Diffusion in Poly-ε-caprolactone-Reference-Cited by-同舟云学术

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

Published:2020-05-26 Issue:24 Volume:124 Page:5042-5052
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sestito Jesse M.¹,Thatcher Mary L.¹,Shu Leshi¹,Harris Tequila A. L.¹^ORCID,Wang Yan¹^ORCID

Affiliation:

1. George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, 801 Ferst Drive NW, Atlanta, Georgia 30332-0405, United States

Funder

Division of Graduate Education

Division of Civil, Mechanical and Manufacturing Innovation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c01939

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