Genetic Parameterization of Interfacial Force Fields Based on Classical Bulk Force Fields and Ab Initio Data: Application to the Methanol-ZnO Interfaces
Author:
Affiliation:
1. Institut für Thermodynamik, Technische Universität Braunschweig, Hans-Sommer-Straße 5, D-38106 Braunschweig, Germany
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01093
Reference86 articles.
1. Surface and interface design for heterogeneous catalysis
2. The Effect of Electrode-Electrolyte Interface on the Electrochemical Impedance Spectra for Positive Electrode in Li-Ion Battery
3. Recent Advances in the Understanding of the Evolution of Surfaces and Interfaces in Solid Oxide Cells
4. Chemical Physics at Interfaces within a Refrigerant-Lubricated Contact: From Electronic Structure to Large-Scale Molecular Dynamics Simulations
5. Electrochemical impedance spectroscopy in interfacial studies
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