2024 APS March Meeting
Monday–Friday, March 4–8, 2024;
Minneapolis & Virtual
Session Index
Session Q62: Emerging Trends in Molecular Dynamics Simulations and Machine Learning IV
Focus Session
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Sponsoring Units: DCOMP
Chair: Priya Darshan Vashishta
Room: 208CD
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Wednesday, March 6, 2024
3:00PM - 3:36PM
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Q62.00001: Understanding Materials Responses under Dynamic Compression from Molecular Dynamics Simulation
Invited Speaker:
Huy Pham
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Wednesday, March 6, 2024
3:36PM - 3:48PM
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Q62.00002: Modeling coarse-grained lattice dynamics with ab initio generalized Langevin equation
Pinchen Xie, Roberto Car, Weinan E
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Wednesday, March 6, 2024
3:48PM - 4:00PM
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Q62.00003: Multi-fidelity Approach to Data Efficient Construction of Graph Neural Network Interatomic Potentials
Tsz Wai Ko, Shyue Ping Ong
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Wednesday, March 6, 2024
4:00PM - 4:12PM
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Q62.00004: Nanoindentation study of yttria stabilized zirconia using molecular dynamics simulations
Woo Kyun Kim, Yiyang Du, Dalei Xi, Aditya Nagaraj, Suk Bum Kwon, Dae Nyoung Kim, Rui Liang, Sangkee Min
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Wednesday, March 6, 2024
4:12PM - 4:48PM
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Q62.00005: Uncovering Fast Solid-Acid Proton Conductors Based on Dynamics of Polyanion Groups and Proton Bonding Strength
Invited Speaker:
Bilge Yildiz
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Wednesday, March 6, 2024
4:48PM - 5:24PM
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Q62.00006: Opportunities for high-throughput discovery in the synthesis and characterization of 2D monolayers, moiré materials, and synthetic van der Waals solids
Invited Speaker:
Andrew J Mannix
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Wednesday, March 6, 2024
5:24PM - 5:36PM
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Q62.00007: First-Principles Studies of Hydrogen Diffusion Mechanisms in FCC Metals: Al and Cu as Case Studies
Ahmed Karkash, Robert C Albers, Avadh B Saxena, Mahdi Sanati
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Wednesday, March 6, 2024
5:36PM - 5:48PM
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Q62.00008: Title:Oral: Hyperoptimization insight for computational morphogenesis
Hazhir Aliahmadi, Ruben Perez, Greg Van Anders
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