Thursday, March 17, 2022
11:30AM - 11:42AM
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T02.00001: Trivalent ion adsorption onto electrified graphene
Amanda J Carr, Sang Soo Lee, Ahmet Uysal
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Thursday, March 17, 2022
11:42AM - 11:54AM
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T02.00002: Molecular modeling of the adsorption-induced expansion of graphene oxide frameworks with covalently bonded benzene-1,4-diboronic acid
Todd Lombardi, Joseph Schaeperkoetter, Alberto Albesa, Carlos Wexler
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Thursday, March 17, 2022
11:54AM - 12:06PM
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T02.00003: Molecular dynamics simulation of the adsorption of sodium dodecyl sulphate on single walled carbon nanotubes in aqueous solution
Corey Valleroy, Eric Anglaret, Lucyna Firlej, Bogdan Kuchta, Michael Roth, Carlos Wexler
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Thursday, March 17, 2022
12:06PM - 12:18PM
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T02.00004: Adsorption of Argon-Methane Mixture on Planar Graphite
Brice Russell, Aldo D Migone, Saikat Talapatra
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Thursday, March 17, 2022
12:18PM - 12:30PM
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T02.00005: Effect of surface polar groups in nanoporous carbon on the co-adsorption of methane and carbon dioxide
Todd Lombardi, Joshua Miles, Mahmoud Attia, Kenedy Tabah, Carlos Wexler
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Thursday, March 17, 2022
12:30PM - 12:42PM
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T02.00006: The Effects of Ultra-High Vacuum on Surface Contamination
Zhen Liu, Youngsup Song, Anoop Rajappan, Evelyn N Wang, Daniel J Preston
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Thursday, March 17, 2022
12:42PM - 12:54PM
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T02.00007: Towards Utilizing Multimodal Optimization to Search for Strontium Titanate Surface Structures
Camden M Duy, Nicholas Cheung, Chaitanya Kolluru, Maria K Chan, Dillon D Fong, Kendra L Letchworth-Weaver
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Thursday, March 17, 2022
12:54PM - 1:06PM
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T02.00008: Numerical methods for the parametrization of the lattice generalized langevin equation: applications to surface desoprtion.
Ardavan Farahvash, Mayank Agarwal, Adam P Willard
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Thursday, March 17, 2022
1:06PM - 1:18PM
Withdrawn
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T02.00009: A multiscale approach towards additive discovery for natural gas hydrate inhibition and promotion
Fernanda C Bononi, Oliviero Andreussi
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Thursday, March 17, 2022
1:18PM - 1:30PM
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T02.00010: Visualization of Sn Adsorption and Diffusion Behavior on (3×1)-O/Nb(100) with Low and Moderate Defect Densities
Rachael G Farber, Sarah A Willson, Steven J Sibener
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Thursday, March 17, 2022
1:30PM - 1:42PM
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T02.00011: CO vibrational frequencies as probe of Pt local environment in Pt1/CeO2 single atom catalysts: First principles investigations
Dave Austin, Duy Le, Shaohua Xie, Sampyo Hong, Fudong Liu, Talat S Rahman
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Thursday, March 17, 2022
1:42PM - 1:54PM
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T02.00012: When does surface polymorphism matter for the work function of organic/metal interfaces?
Andreas Jeindl, Lukas Hörmann, Oliver T Hofmann
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Thursday, March 17, 2022
1:54PM - 2:06PM
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T02.00013: The structure of water at interfaces through ab initio simulations of non-linear spectroscopy
Alan M Lewis, Paolo Lazzaroni, Mariana Rossi
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Thursday, March 17, 2022
2:06PM - 2:18PM
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T02.00014: Fully Atomistic Modeling of Carbon Quantum Dots in Aqueous Solution
Clarisse Basset, Bogdan Kuchta, Lucyna Firlej, Michael Roth, Carlos Wexler
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