ContactAngleCalculator: An Automated, Parametrized, and Flexible Code for Contact Angle Estimation in Visual Molecular Dynamics
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DOI: 10.1021/acs.jcim.2c00408
Abstract: Accurate, fast, and flexible approaches for contact angle estimation in molecular dynamics simulations are of great importance for characterization of surface wettability, especially for machine learning approaches which would usually require thousands of computational contact… read more here.
Keywords: contact angle; contact; molecular dynamics; contactanglecalculator ... See more keywords