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DTSTART;TZID="Pacific Time (US & Canada)":20221202T161000
DTEND;TZID="Pacific Time (US & Canada)":20221202T170000
SUMMARY:Physical Chemistry Seminar – Nitesh Kumar, Chemistry Graduate Student
LOCATION:Fulmer Hall
DESCRIPTION:Speaker: Nitesh Kumar, chemistry graduate student\n\nGroup: Aurora Clark\n\nTitle: Understanding interfacial adsorption of amphiphiles through the lens of persistent homology\n\nAbstract: We propose persistent homology based topological descriptors to characterize the morphology of amphiphile adsorption surfaces at liquid/liquid interfaces. Our results demonstrate that the descriptors like 0- and 1-dimensional Betti curves, persistent entropy, and the non-ideality index could distinguish the ensemble-average interfacial organization and the time-evolution of the adsorbed amphiphile at the interface. The presentation will provide an overview of the mathematics behind persistent homology and the methodology used to analyze molecular simulation data of liquid/liquid interfaces. This approach is generalizable for studying more complex molecular sorption patterns on solid-air, air-water, oil-air, and biological surrogate membranes.
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