Bulletin of the American Physical Society
2023 Annual Meeting of the APS Mid-Atlantic Section
Friday–Sunday, November 3–5, 2023; University of Delaware, Newark, Delaware
Session F01: Poster Session
4:00 PM,
Saturday, November 4, 2023
University of Delaware
Room: ISE Lab (ground floor)
Abstract: F01.00010 : Novel computational chemistry infrastructure for simulating astatide in water: From basis sets to force fields using particle swarm optimization*
Presenter:
Kennet J Rueda Espinosa
(University of Delaware)
Authors:
Kennet J Rueda Espinosa
(University of Delaware)
Alexei A Kananenka
(University of Delaware)
Alexander A Rusakov
(Oakland University)
*The research reported in this article was supported by the National Institutes of Health under Award Number P20GM104316 (A.A.K.). A.A.R. thanks the Biomedical Research Center at Oakland University for support through the Research Excellence Program. High-performance computing facilities were provided by the University of Delaware and via collaboration between the Oakland University Research Office and University Technology Services.
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