Thursday, March 9, 2023
11:30AM - 11:42AM
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T60.00001: Prediction of Metal-Organic Framework Adsorption Isotherms using Ab Initio derived Neural Network Potentials
Pedro Guimarães Martins, Yusuf Shaidu, Eric Taw, Alex Smith, Jeffrey B Neaton
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Thursday, March 9, 2023
11:42AM - 11:54AM
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T60.00002: Representing Fly Behavior with Recurrent Neural Networks
Ishan Saran
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Thursday, March 9, 2023
11:54AM - 12:06PM
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T60.00003: Thermal Conductivity of Amine-Appended Metal-Organic Frameworks for Carbon Capture using Neural Network Interatomic Potentials
Yusuf Shaidu, Jeffrey B Neaton
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Thursday, March 9, 2023
12:06PM - 12:18PM
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T60.00004: Simulation of High-Generation Phytoglycogen Dendrimers Interacting with Charged, Hydrophobic Molecules
Benjamin E Morling, Sylvia M Luyben, Robert A Wickham, John R Dutcher
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Thursday, March 9, 2023
12:18PM - 12:30PM
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T60.00005: Modeling Excited-State Dynamics for Polariton Chemistry with Hierarchically Interacting Particle Neural Network
Xinyang Li, Yu Zhang, Sergei Tretiak, Kipton M Barros, Nicholas E Lubbers, Alice Allen, Ben T Nebgen, Sakib Matin
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Thursday, March 9, 2023
12:30PM - 12:42PM
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T60.00006: Optimal Development of Transferable Machine Learning Interatomic Potentials using Active Learning
David O Montes de Oca Zapiain, Mitchell A Wood, Dionysios Sema, Aidan P Thompson
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Thursday, March 9, 2023
12:42PM - 12:54PM
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T60.00007: Physics-Guided Problem Decomposition for Scaling Deep Learning of Quantum Spin Models
Wei-Cheng Lee, Sangeeta Srivastava, Samuel Olin, Viktor A Podolskiy, Anuj Karpatne, Anish Arora
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Thursday, March 9, 2023
12:54PM - 1:06PM
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T60.00008: Sample Size Determination for Machine Learning Surrogates of Molecular Dynamics Simulations
Fanbo Sun, Kadupitiya JCS, Vikram Jadhao
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Thursday, March 9, 2023
1:06PM - 1:18PM
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T60.00009: Interpretable machine learning analysis of quantum gas microscopy data of doped Fermi-Hubbard model
YANJUN LIU, Yao Wang, Henning Schloemer, Annabelle Bohrdt, Timon A Hilker, Fabian Grusdt, Immanuel Bloch, Eun-Ah Kim, Joannis Koepsell, Dominik Bourgund, Sarah Hirthe, Guillaume Salomon, Christian Gross, Pimonpan Sompet
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Thursday, March 9, 2023
1:18PM - 1:30PM
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T60.00010: Bitstring-ChiFc: machine learning Fisher Information Metric from bitstrings
Victor Kasatkin, Itay Hen, Nic Ezzell, Utkarsh Mishra, Daniel A Lidar, Lalit Gupta, Evgeny Mozgunov
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Thursday, March 9, 2023
1:30PM - 1:42PM
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T60.00011: Kinetic isotope effects for excited-state gas-phase reactions: A surface-hopping ab initio molecular dynamics study
Richard A Messerly, Brendan Gifford, Ivana Gonzales, Troy Holland
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Thursday, March 9, 2023
1:42PM - 1:54PM
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T60.00012: Investigation on Multi-Pass Ultra-Precision Cutting of Sapphire Using Molecular Dynamic Simulations
Yiyang Du, Dalei Xi, Aditya Nagaraj, Suk Bum Kwon, Dae Nyoung Kim, Sangkee Min, Woo Kyun Kim
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