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Publications
Proceedings
2021 Annual Meeting
Computational Molecular Science and Engineering Forum
Spotlights in Thermodynamics and Computational Molecular Science (Invited Talks)
2021 Annual Meeting
Session: Spotlights in Thermodynamics and Computational Molecular Science (Invited Talks)
Chair
M. Scott Shell
, University of California, Santa Barbara
Co-Chair
Arthi Jayaraman
, University of Delaware, Newark
Presentations
08:05 AM
(86a) Model for Disordered Proteins with Strongly Sequence-Dependent Liquid Phase Behavior
Helena Casademunt, Antonia Statt, Athanassios Panagiotopoulos, Clifford P. Brangwynne
08:28 AM
(86b) A Touch of Non-Linearity: Mesoscale Swimmers and Active Matter in Fluids
Daphne Klotsa, Thomas Dombrowski, Hong Nguyen
08:51 AM
(86c) Binary Solute Adsorption in Surfactant Bilayers with Gibbs Ensemble Monte Carlo Simulations
Mona Minkara
09:19 AM
(86d) Chemistry Under Extreme Conditions: Accelerating Research through Artificial Intelligence
Rebecca Lindsey
09:42 AM
(86e) Modeling Diffusion Processes in the Zeolite Nanopores
Neeraj Rai, Md Masrul Huda, Nusrat Jahan, Chinmoy Saha
10:05 AM
(86f) Discovery of Novel Compounds and Pathways through Identification of Bioprivileged Molecules
Linda Broadbelt, Lauren Lopez, Guanhua Wang, Matthew W. Coile, Brent H. Shanks, John Torkelson, Yixuan Chen