Wednesday, March 8, 2023
3:00PM - 3:36PM
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Q53.00001: Self-assembly of electronic materials and the power of machine learning
Invited Speaker:
Paulette Clancy
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Wednesday, March 8, 2023
3:36PM - 3:48PM
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Q53.00002: How deep neural networks learn thermal phase transitions
Julian Arnold, Frank Schäfer
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Wednesday, March 8, 2023
3:48PM - 4:00PM
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Q53.00003: Machine learning phases of matter: Scalability and limitations
Zhongzheng Tian, Sheng Zhang, Gia-Wei Chern
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Wednesday, March 8, 2023
4:00PM - 4:12PM
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Q53.00004: Learning Together: Training Interatomic Potentials to Multiple Datasets
Alice Allen
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Wednesday, March 8, 2023
4:12PM - 4:24PM
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Q53.00005: Local force field of thermally displaced atoms in unstable bcc iron from machine learning
Adrian De la Rocha Galán, Valeria I Arteaga Muniz, Blaise A Ayirizia, Sofia G Gomez, Ramon J Ravelo, Wibe A de Jong, Jorge A Munoz
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Wednesday, March 8, 2023
4:24PM - 4:36PM
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Q53.00006: CHGNet: Pretrained Neural Network Potential for Fast and Accurate Charge-constrained Molecular Dynamics
Bowen Deng, Peichen Zhong, Gerbrand Ceder
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Wednesday, March 8, 2023
4:36PM - 4:48PM
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Q53.00007: Neural-network-based interatomic potential: A case study on lithium
Naman Katyal
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Wednesday, March 8, 2023
4:48PM - 5:00PM
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Q53.00008: On-the-fly Machine Learning-Accelerated Geometry Optimization: Theoretical Screening of a Single Atom Alloy for CO2 Electroreduction Reaction
Jiyoung Lee
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Wednesday, March 8, 2023
5:00PM - 5:12PM
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Q53.00009: Investigating the influence of local composition on properties in complex alloys using machine learned interatomic potentials
Megan J McCarthy, Jacob Startt, Remi Dingreville, Aidan P Thompson, Mitchell A Wood
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Wednesday, March 8, 2023
5:12PM - 5:24PM
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Q53.00010: Nanoparticle Heterogeneous Catalysis Dynamics Simulations with Machine Learned Force Fields
Cameron J Owen, Yu Xie, Jin Soo Lim, Boris Kozinsky
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Wednesday, March 8, 2023
5:24PM - 5:36PM
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Q53.00011: Melting and Phase Separation of SiC from Large-scale Machine Learning Molecular Dynamics
Yu Xie, Senja J Ramakers, Boris Kozinsky
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Wednesday, March 8, 2023
5:36PM - 5:48PM
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Q53.00012: ML models for partition functions: from the prediction of thermodynamic properties to the exploration of transition pathways
Jerome P Delhommelle, Caroline Desgranges
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Wednesday, March 8, 2023
5:48PM - 6:00PM
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Q53.00013: Diffeomorphisms invariance is a proxy of performance in deep neural networks
Leonardo Petrini, Alessandro Favero, Mario Geiger, Matthieu Wyart
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