Wednesday, March 6, 2019
8:00AM - 8:36AM
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K21.00001: Reactive molecular dynamics simulations and machine learning
Invited Speaker:
Priya Vashishta
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Wednesday, March 6, 2019
8:36AM - 9:12AM
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K21.00002: High-Dimensional Neural Network Potentials for Complex Systems
Invited Speaker:
Jörg Behler
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Wednesday, March 6, 2019
9:12AM - 9:24AM
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K21.00003: Nanoindentation on Monolayer Kirigami MoS2
Beibei Wang, Rajiv Kalia, Aiichiro Nakano, Priya Vashishta
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Wednesday, March 6, 2019
9:24AM - 9:36AM
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K21.00004: Theoretical Studies of Water by Climbing Jacob’s Ladder with Deep Learning
Mohan Chen, Linfeng Zhang, Han Wang, Jianhang Xu, Hsin-Yu Ko, Biswajit Santra, John P Perdew, Weinan E, Xifan Wu
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Wednesday, March 6, 2019
9:36AM - 9:48AM
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K21.00005: Machine Learning Polarizable Force Field Parameters
Ying Li, Hui Li, Frank Pickard, Badri Narayanan, Subramanian Sankaranarayanan, Maria Chan, Benard Brooks, Benoit Roux
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Wednesday, March 6, 2019
9:48AM - 10:00AM
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K21.00006: Hot spot formation and shock initiation of RDX
Ankit Mishra, Ken-ichi Nomura, Aiichiro Nakano, Rajiv Kalia, Priya Vashishta
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Wednesday, March 6, 2019
10:00AM - 10:12AM
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K21.00007: Towards Exact Molecular Dynamics Simulations with Machine-Learned Force Fields
Stefan Chmiela, Huziel Sauceda, Klaus-Robert Müller, Alexandre Tkatchenko
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Wednesday, March 6, 2019
10:12AM - 10:24AM
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K21.00008: Atomic Scale Response of Electrochemical Systems Under Potential Bias
James Goff
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Wednesday, March 6, 2019
10:24AM - 10:36AM
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K21.00009: Constructing Accurate Machine Learning Force Fields for Flexible Molecules
Valentin Vassilev Galindo, Igor Poltavskyi, Alexandre Tkatchenko
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Wednesday, March 6, 2019
10:36AM - 10:48AM
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K21.00010: Machine Learning for Auto-tuning of Simulation Parameters in Car-Parrinello Molecular Dynamics
Jayanath Chamindu Kadupitige, Geoffrey C Fox, Vikram Jadhao
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Wednesday, March 6, 2019
10:48AM - 11:00AM
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K21.00011: Parallel Trajectory Splicing and the Value of Information
Andrew Garmon, Danny Perez
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