Molecular Dynamics 6

[29-F-14] Molecular Dynamics Simulation of Adsorption of ZnDTP on Nascent and Oxidized Iron Surfaces Using Neural Network Potential

*Tomohito Horio¹, Akihiro Nagoya², Tasuku Onodera², Hitoshi Washizu¹ (1. University of Hyogo, Japan, 2. ENEOS Corporation, Japan)

Keywords:ZnDTP, Molecular Dynamics Simulation, Neural Network Potential, Tribochemical reaction, Computational chemistry