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The Molecular Simulation Laboratory at EPFL, led by Prof. Berend Smit, focuses on understanding molecular simulations from a chemical-physics and statistical-mechanics perspective. The lab develops algorithms and expands the range of simulation applicability, providing foundational knowledge for selecting and applying computational techniques. Research areas include methane storage, carbon capture, biological membranes, separation processes, and more.
Berend Smit, Elias Moubarak, Balázs Álmos Novotny, Seyedmohamad Moosavi, Daniele Ongari, Mehrdad Asgari, Andres Adolfo Ortega Guerrero, Özge Kadioglu