Wednesday, March 8, 2023
11:30AM - 12:06PM
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N04.00001: Elucidating the mechanisms of synthesis of zeolites using data science and molecular simulation
Invited Speaker:
Valeria Molinero
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Wednesday, March 8, 2023
12:06PM - 12:18PM
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N04.00002: Novel analysis of structural dynamics of small bimetallic clusters
Darya Aleinikava, Julius Jellinek
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Wednesday, March 8, 2023
12:18PM - 12:30PM
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N04.00003: A nonadiabatic generalized-dividing-surface instanton rate theory
Rhiannon A Zarotiadis, Joseph E Lawrence, Jeremy O Richardson
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Wednesday, March 8, 2023
12:30PM - 1:06PM
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N04.00004: Middle Scales of Complex Materials
Invited Speaker:
Rigoberto Hernandez
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Wednesday, March 8, 2023
1:06PM - 1:18PM
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N04.00005: Realizability of Iso-$g_2$ Processes via Effective Pair Interactions
Haina Wang, Frank H Stillinger, Salvatore Torquato
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Wednesday, March 8, 2023
1:18PM - 1:30PM
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N04.00006: A differential lithium isotope effect on amorphous calcium phosphate formation at the nanoscale
Manisha Patel, Joshua Straub, Matt Helgeson, Matthew Fisher, Mesopotamia Nowotarski
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Wednesday, March 8, 2023
1:30PM - 1:42PM
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N04.00007: Deep Learning Potential Molecular Dynamics Simulation of Chemical Conversion-Absorption Coupling of CO2 at Air-Reactive Deep Eutectic Solvent Interface
Yuhua Duan, Manh Tien Nguyen, Qing Shao, Yueh-Lin Lee, Fan Shi
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Wednesday, March 8, 2023
1:42PM - 1:54PM
Author not Attending
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N04.00008: Atomic graph-based symmetry recovery for machine learning force fields.
Anton Charkin-Gorbulin, Igor Poltavsky, Alexandre Tkatchenko
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Wednesday, March 8, 2023
1:54PM - 2:06PM
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N04.00009: Complete machine learning description of chemical reactions in solution
Timothée Devergne, Leon Huet, Théo Magrino, Arthur France-Lanord, Fabio Pietrucci, A. Marco Saitta
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Wednesday, March 8, 2023
2:06PM - 2:18PM
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N04.00010: Improving physically predictive force field by adding many body effect corrections with machine learning
Seungwon Jeong, Chang Yun Son
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Wednesday, March 8, 2023
2:18PM - 2:30PM
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N04.00011: Interpretation of autoencoder-learned collective variables using Morse-Smale complex: an application on molecular trajectories
Shao Chun Lee, Y Z
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