Multicriteria Optimization of Molecular Models of Water Using a Reduced Units Approach
Author:
Affiliation:
1. Laboratory of Engineering Thermodynamics (LTD), Technische Universität Kaiserslautern (TUK), 67663 Kaiserslautern, Germany
2. Fraunhofer Institute for Industrial Mathematics (ITWM), 67663 Kaiserslautern, Germany
Funder
KSB foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00301
Reference49 articles.
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3. Testing the recent charge-on-spring type polarizable water models. II. Vapor-liquid equilibrium
4. To Polarize or Not to Polarize? Charge-on-Spring versus KBFF Models for Water and Methanol Bulk and Vapor–Liquid Interfacial Mixtures
5. Automatic parameterization of force fields for liquids by simplex optimization
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