Monday, March 4, 2024
11:30AM - 12:06PM
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B62.00001: Towards Large-scale Quantum Accuracy Materials Simulations
Invited Speaker:
Vikram Gavini
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Monday, March 4, 2024
12:06PM - 12:18PM
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B62.00002: Quantum-accurate large-scale atomistic simulation of materials with LAMMPS and FitSNAP
Aidan P Thompson
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Monday, March 4, 2024
12:18PM - 12:30PM
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B62.00003: Benchmarking anharmonicity in machine learned interatomic potentials
Sasaank Bandi, Chao Jiang, Chris A Marianetti
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Monday, March 4, 2024
12:30PM - 12:42PM
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B62.00004: Modeling Atomic Structure of Platinum Deposition on Graphene with Machine Learning Interatomic Potentials
Akram Ibrahim, Ahmed H Abdelaziz, Mahmooda Sultana, Can Ataca
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Monday, March 4, 2024
12:42PM - 12:54PM
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B62.00005: Extracting Catalytic Reaction Mechanisms from Large-Scale Simulations Accelerated by Machine Learning Interatomic Potentials
Anders Johansson, Cameron J Owen, Boris Kozinsky
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Monday, March 4, 2024
12:54PM - 1:30PM
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B62.00006: The quest for spin crossover molecules for low-power nonvolatile memory applications
Invited Speaker:
Talat S Rahman
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Monday, March 4, 2024
1:30PM - 1:42PM
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B62.00007: Machine-Learning Potentials for All-Atom Simulation of CO2’s Chemisorption
Binquan Luan, Carine Dos Santos, Rodrigo Neumann Barros Ferreira, Mathias B Steiner
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Monday, March 4, 2024
1:42PM - 1:54PM
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B62.00008: Machine Learning-Based Predictions of Threshold Displacement Energy in Materials
Rosty B Martinez Duque, Mario F Borunda, Arman Duha
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Monday, March 4, 2024
1:54PM - 2:06PM
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B62.00009: Investigating MXene properties via simulated surface acoustic waves
Parker K Hamilton, Remi Dingreville, Rajiv K Kalia, Ryan R Wixom
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Monday, March 4, 2024
2:06PM - 2:18PM
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B62.00010: Abstract Withdrawn
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Monday, March 4, 2024
2:18PM - 2:30PM
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B62.00011: Merging Quantum Mechanics with Machine Learning for Navigating Chemical Space
Christopher Sutton
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