Friday, March 8, 2019
8:00AM - 8:12AM
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X19.00001: Deep neural networks to accelerate and reproduce DFT
Linda Hung, Brian Rohr, Kristopher S Brown, Michael Statt, Patrick Herring, Arjun Bhargava, Ha-Kyung Kwon, Santosh Suram, Muratahan Aykol, Jens Hummelshøj
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Friday, March 8, 2019
8:12AM - 8:24AM
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X19.00002: MAISE package: Materials prediction accelerated with neural network potentials
Aleksey Kolmogorov, Samad Hajinazar, Ernesto D. Sandoval
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Friday, March 8, 2019
8:24AM - 8:36AM
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X19.00003: Accelerating superalloy discovery using moment tensor potentials
Hayden Oliver, Brayden Bekker, Chandramouli Nyshadham, Carlos Alberto Leon Chinchay, Gus Hart
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Friday, March 8, 2019
8:36AM - 8:48AM
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X19.00004: Using machine learning interatomic potentials for finding CoNiTi ternaries
Carlos Alberto Leon Chinchay, Wiley S Morgan, Gus Hart
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Friday, March 8, 2019
8:48AM - 9:00AM
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X19.00005: Exploring Materials Space with Machine Learning
Brayden Bekker, Hayden Oliver, Chandramouli Nyshadham, Alexander Shapeev, Gus Hart
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Friday, March 8, 2019
9:00AM - 9:12AM
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X19.00006: Combined cluster and atomic displacement expansion for solid solutions and magnetism
Kevin Garrity
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Friday, March 8, 2019
9:12AM - 9:24AM
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X19.00007: High-order rotational invariants for structural representations: Application to linearized machine learning interatomic potential
Atsuto Seko, Atsushi Togo, Isao Tanaka
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Friday, March 8, 2019
9:24AM - 9:36AM
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X19.00008: The second-principles MULTIBINIT software project
Fabio Ricci, Alexandre Martin, Marcus Schmitt, Jordan Bieder, Xu He, Eric Bousquet, Matthieu J. Verstraete, Philippe Ghosez
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Friday, March 8, 2019
9:36AM - 9:48AM
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X19.00009: Structural Deformations in Graphene under Laser Ablation
Mohammad Alaghemandi, Michelle Y. Sander, Sahar Sharifzadeh
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Friday, March 8, 2019
9:48AM - 10:00AM
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X19.00010: Atomistic investigation of a carbonization process for C/H/O/N-based polymers with use of the reactive potentials: ReaxFF
Malgorzata Kowalik, Chowdhury M. Ashraf, Adri C. T. van Duin
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Friday, March 8, 2019
10:00AM - 10:12AM
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X19.00011: Molecular Dynamics Investigations of the Mechanical Properties of Heterogeneous Structures Composed of Graphene Sheets, Graphene Ribbons, and Boron Nitride Sheets
Cuiying Jian, Nicola Ferralis, Jeffrey C Grossman
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Friday, March 8, 2019
10:12AM - 10:24AM
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X19.00012: Toward Sustainable Asphaltic Materials: A Molecular Dynamics (MD) Investigation of Bio-oil Modified Asphalt
Iskinder Arsano, Kshitij C Jha, Mesfin Tsige
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Friday, March 8, 2019
10:24AM - 10:36AM
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X19.00013: Computational design of organic molecules for reducing friction at the nanoscale
Jing Yang, Jon Paul Janet, Fang Liu, Heather J Kulik
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Friday, March 8, 2019
10:36AM - 10:48AM
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X19.00014: Machine-Learning Provides New Insights into the Coil-to-Globule Transitions of Thermosensitive Polymers
Karteek Kumar Bejagam, Yaxin An, Samrendra Singh, Sanket Deshmukh
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Friday, March 8, 2019
10:48AM - 11:00AM
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X19.00015: Bayesian inference of grain growth prediction via multi-phase-field models
Hiromichi Nagao, Shin-ichi Ito, Takashi Kurokawa, Tadashi Kasuya, Junya Inoue
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