Anisotropic Electrostatic Interactions in Coarse-Grained Water Models to Enhance the Accuracy and Speed-Up Factor of Mesoscopic Simulations
Author:
Affiliation:
1. Department of Energy, Politecnico di Torino, Torino 10129, Italy
2. MaterialX LTD, Bristol BS2 0XJ, U.K.
Funder
H2020 Industrial Leadership
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.1c07642
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5. Srivastava, R.; Fasano, M.; Nejad, S. M.; Thielemann, H. C.; Chiavazzo, E.; Asinari, P. Carbon-Based Smart Materials; Charitidis, C. A.; Koumoulos, E. P.; Dragatogiannis, D. A., Eds. De Gruyter: Berlin/Boston, 2020; Chapter 3, pp 33–80, https://doi.org/10.1515/9783110479133-003.
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