Monday, March 4, 2019
2:30PM - 2:42PM
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C21.00001: Direct and universal bounded entropy evaluation in complex simulations
Ram Avinery, Roy Beck
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Monday, March 4, 2019
2:42PM - 2:54PM
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C21.00002: Predicting shear transformation events in glasses via energy landscape sampling
Bin Xu, Michael Falk, Jinfu Li, Lingti Kong
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Monday, March 4, 2019
2:54PM - 3:06PM
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C21.00003: Utilizing finger prints to construct the disconnectivity graph.
Deb De, Bastian Schaefer, Santanu Saha, Daniele Tomerini, Stefan A C Goedecker
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Monday, March 4, 2019
3:06PM - 3:42PM
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C21.00004: Three birds with one stone: reaction coordinate, thermodynamics and kinetics from all-atom molecular simulations
Invited Speaker:
Pratyush Tiwary
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Monday, March 4, 2019
3:42PM - 3:54PM
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C21.00005: Nucleation Kinetics using Generalized Ensemble Simulations
Muralikrishna Raju, Deepti Ballal, Xueyu Song
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Monday, March 4, 2019
3:54PM - 4:06PM
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C21.00006: Understanding inverted solubility through specialized patchy particle models
Irem Altan, Amir Khan, Susan James, Michelle Quinn, Patrick Charbonneau, Jennifer McManus
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Monday, March 4, 2019
4:06PM - 4:18PM
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C21.00007: Spikes to Hills: A Continuation of Sticky Hard Sphere Clusters to Long Range Clusters
Anthony Trubiano, Miranda Holmes-Cerfon
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Monday, March 4, 2019
4:18PM - 4:30PM
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C21.00008: Surveying the Free Energy Landscape of Attractive Colloidal Spheres
Shanghui Huang, Jonathan Whitmer
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Monday, March 4, 2019
4:30PM - 4:42PM
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C21.00009: Resolving the Interfaces in C60-SubPC Organic Solar Cells Using Molecular Dynamics Simulations
Jacob Tinnin, Pengzhi Zhang, Eitan Geva, Barry Dunietz, Margaret Cheung
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Monday, March 4, 2019
4:42PM - 4:54PM
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C21.00010: Bivariate Transition Matrix Monte Carlo Method for Joint Density of States Calculations
Yong Hwan Lee, David Yevick
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Monday, March 4, 2019
4:54PM - 5:06PM
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C21.00011: Policy-guided Monte Carlo: Reinforcement-learning Markov chain dynamics
Troels Bojesen
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Monday, March 4, 2019
5:06PM - 5:18PM
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C21.00012: Integrating cluster algorithms and transition matrix methods
David Yevick, Yong Hwan Lee
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