Session information

Modeling / Molecular simulation

Processes and Fundamentals

Modeling / Molecular simulation 3

Mon. Jul 10, 2023 4:10 PM - 5:50 PM Room 8 (301 B)

Chair:Anthony Szymczyk, Ryo Nagumo

4:10 PM - 4:35 PM

[O1.MM-09(KN)] Inverse Design of High-Performance Membranes using Deep Learning Generative Model

*Hiromitsu Takaba¹, Takumi Matsumoto¹, Kentaro Nishio¹, Masaya Miyagawa¹ (1. Kogakuin University)

4:35 PM - 5:00 PM

[O1.MM-10] Computational evaluation of metal and covalent organic frameworks for removal of perfluoroalkyl substances

*Joshua Young¹, Daniel Mottern¹ (1. New Jersey Institute of Technology)

5:00 PM - 5:25 PM

[O1.MM-11] Multi-scaled approach to intensify the modeling of membrane processes

*Andrea Achilli¹, Zachary M Binger² (1. University of Arizona, 2. NREL)

5:25 PM - 5:50 PM

[O1.MM-12] Key interactions between the membrane and antisolvent crystallization system: experimental and MD simulations

*Sara Chergaoui¹, Damien P. Debecker¹, Elena Tocci², Tom Leyssens¹, Patricia Luis¹ (1. Université Catholique de Louvain, Belgium, 2. Institute on Membrane Technology, Italy)

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