Wednesday, March 6, 2019
11:15AM - 11:51AM
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L21.00001: Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach
Invited Speaker:
Yang Sun
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Wednesday, March 6, 2019
11:51AM - 12:27PM
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L21.00002: TBD
Invited Speaker:
Klaus-Robert Müller
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Wednesday, March 6, 2019
12:27PM - 12:39PM
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L21.00003: Cavitation in Water Induced by a SnO2 Nanoparticle and a Strong Electric Field
Shane Jackson, Aiichiro Nakano, Priya Vashishta, Rajiv Kalia
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Wednesday, March 6, 2019
12:39PM - 12:51PM
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L21.00004: Interaction Potential for Faceted Nanoparticles.
Brian Lee, Gaurav Arya
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Wednesday, March 6, 2019
12:51PM - 1:03PM
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L21.00005: Atomic Structure of Supported Metal Nano Clusters on MoS2 Monolayer Using Deep Potentials
Wissam Saidi, Yongliang Shi, Linfeng Zhang, Han Wang, Weinan E, Jin Zhao
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Wednesday, March 6, 2019
1:03PM - 1:15PM
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L21.00006: Large-Scale Atomistic Simulations of Materials using SNAP Potentials
Aidan Thompson, Mitchell A Wood, Mary Alice Cusentino
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Wednesday, March 6, 2019
1:15PM - 1:27PM
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L21.00007: A mean-field algorithm with decoherence and detailed balance for nonadiabatic molecular dynamics
Jun Kang, Lin-Wang Wang
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Wednesday, March 6, 2019
1:27PM - 1:39PM
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L21.00008: Multi-Resolution Simulations using the Integral Equation Coarse-Graining Method
Mohammadhasan Dinpajooh, Marina Giuseppina Guenza
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Wednesday, March 6, 2019
1:39PM - 1:51PM
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L21.00009: Development of a universal Electron Force Field
Isidro Losada López, Michelle Fritz, Paula Mori-Sanchez, Marivi Fernandez Serra, Jose M Soler
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Wednesday, March 6, 2019
1:51PM - 2:03PM
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L21.00010: Modeling of La3+ doping segregation in nanocrystalline yttria-stabilized zirconia using a combintaion of atomistic MD, Monte Carlo and Nudged Elatic Band calculations
Shenli Zhang, Roland Faller
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Wednesday, March 6, 2019
2:03PM - 2:15PM
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L21.00011: Ultrafast detonation of hydrazoic acid: a case study of the ChIMES model
Huy Pham, Nir Goldman, Laurence Fried
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