Modeling / Molecular simulation 2

[O1.MM-06] Molecular Simulation of Polymer Membranes using a Machine Learning-aided Multiscale Approach

*Eleonora Ricci¹, Dimitris-Paraskevas Gerakinis¹, George Giannakopoulos¹, Vangelis Karkaletsis¹, Doros N. Theodorou², Niki Vergadou¹ (1. National Centre for Scientific Research "Demokritos", 2. National Technical University of Athens)

キーワード：molecular modelling, machine learned force field, multiscale simulations