Wednesday, March 6, 2019
2:30PM - 3:06PM
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P21.00001: Deep Learning for Multi-Scale Molecular Modelling
Invited Speaker:
Weinan E
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Wednesday, March 6, 2019
3:06PM - 3:42PM
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P21.00002: Predictive Atomistic Simulations of Materials using SNAP Data-Driven Potentials
Invited Speaker:
Aidan Thompson
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Wednesday, March 6, 2019
3:42PM - 3:54PM
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P21.00003: Machine learning of reaction pathways in chemical vapor deposition of MoS2 monolayers
Aravind Krishnamoorthy, Pankaj Rajak, Aiichiro Nakano, Rajiv Kalia, Priya Vashishta
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Wednesday, March 6, 2019
3:54PM - 4:06PM
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P21.00004: Development of artificial neural network potential for hexagonal boron nitride with and without defects
Talat S. Rahman, Duy Le
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Wednesday, March 6, 2019
4:06PM - 4:18PM
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P21.00005: Active-learning strategy for the development of application-specific machine-learning force fields
Huan Tran, Rohit Batra, James Chapman, Chiho Kim, Anand Chandrashekaran, Ramamurthy Ramprasad
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Wednesday, March 6, 2019
4:18PM - 4:30PM
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P21.00006: Deep Generative Model of Interfacial Structures in Phase Transformation of
an MoWSe2 Monolayer
Pankaj Rajak, Aravind Krishnamoorthy, Aiichiro Nakano, Rajiv Kalia, Priya Vashishta
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Wednesday, March 6, 2019
4:30PM - 4:42PM
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P21.00007: Magnetism and superconductivity in amorphous carobn
Yuki Sakai, James Chelikowsky, Marvin L Cohen
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Wednesday, March 6, 2019
4:42PM - 4:54PM
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P21.00008: Magnetostriction and Long-Range Interactions in Coupled Spin and Lattice Dynamics
Julien Tranchida, Mitchell A Wood, Attila Cangi, Stan G. Moore, Pascal Thibaudeau, Steven James Plimpton, Aidan Thompson
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Wednesday, March 6, 2019
4:54PM - 5:06PM
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P21.00009: Employing autoencoders for configuration space sampling: Application to small molecules.
Igor Poltavskyi, Alexandre Tkatchenko
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Wednesday, March 6, 2019
5:06PM - 5:18PM
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P21.00010: Atomistic mechanisms of phase transitions from Machine Learning
Rodrigo Freitas, Evan Reed
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Wednesday, March 6, 2019
5:18PM - 5:30PM
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P21.00011: Efficient Training of Neural-Network Interatomic Potentials with Atomic Forces
Simon Batzner, Boris Kozinsky
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