ICOM2023

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Modeling / Molecular simulation

Processes and Fundamentals

Modeling / Molecular simulation 2

Mon. Jul 10, 2023 2:00 PM - 3:40 PM Room 8 (301 B)

Chair: Hiromitsu Takaba, Zhaohuan Mai

2:25 PM - 2:50 PM

[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)

Keywords:molecular modelling, machine learned force field, multiscale simulations