Wednesday, March 7, 2018
2:30PM - 3:06PM
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P57.00001: On the structure of liquids and glasses: More order than expected
Invited Speaker:
Walter Kob
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Wednesday, March 7, 2018
3:06PM - 3:18PM
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P57.00002: Ab initio theory and modeling of water
Mohan Chen, Hsin-Yu Ko, Richard Remsing, Marcos Calegari Andrade, Biswajit Santra, Zhaoru Sun, Annabella Selloni, Roberto Car, Michael Klein, John Perdew, Xifan Wu
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Wednesday, March 7, 2018
3:18PM - 3:30PM
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P57.00003: Ab Initio Simulations of Water Using Self-Consistent Hybrid Functionals
Jeffrey Gustafson, Alex Gaiduk, Francois Gygi, Giulia Galli
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Wednesday, March 7, 2018
3:30PM - 3:42PM
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P57.00004: Solvation Properties of Ions in Confined Aqueous Solutions from First Principles Molecular Dynamics
Viktor Rozsa, Tuan Anh Pham, Eric Schwegler, Giulia Galli
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Wednesday, March 7, 2018
3:42PM - 3:54PM
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P57.00005: Infrared Spectra of Liquid Water Studied by Ab initio Methods
Jianhang Xu, Mohan Chen, Xifan Wu
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Wednesday, March 7, 2018
3:54PM - 4:06PM
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P57.00006: A viscoelastic hydrodynamic theory of acoustic excitations in liquids
Zhikun Cai, Yang Zhang
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Wednesday, March 7, 2018
4:06PM - 4:18PM
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P57.00007: All-atom Metadynamics Simulations of the Hierarchical Folding Dynamics of Proteins on the Timescale of Seconds
Nathan Walter, Yang Zhang
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Wednesday, March 7, 2018
4:18PM - 4:30PM
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P57.00008: Overcoming the time limitation in Molecular Dynamics simulation of crystal nucleation: a persistent-embryo approach
Yang Sun, Huajing Song, Feng Zhang, Lin Yang, Zhuo Ye, Mikhail Mendelev, Cai-Zhuang Wang, Kai-Ming Ho
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Wednesday, March 7, 2018
4:30PM - 4:42PM
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P57.00009: Nanoconfinement and phase transitions of water in protein crystals
David Moreau, Hakan Atakisi, Robert Thorne
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Wednesday, March 7, 2018
4:42PM - 4:54PM
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P57.00010: Kosmotrope and Chaotrope Salts Influence on Water Structural Relaxation Investigated by Coherent Quasielastic Neutron Scattering
Antonio Faraone, Erkan Senses, Eugene Mamontov
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Wednesday, March 7, 2018
4:54PM - 5:06PM
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P57.00011: Seeking Structural Clues to Propensity in Simulations of Glass Formers
Cordell Donofrio, Eric Weeks
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Wednesday, March 7, 2018
5:06PM - 5:18PM
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P57.00012: Continuous Freezing and Melting of Water in Proximity to
Nanostructured CuO Coatings1
James Torres, Zachary Buck, Helmut Kaiser, Robert Winholtz, Haskell Taub, Madhusudan Tyagi, Kenneth Herwig, Eugene Mamontov, G. Ehlers, Flemming Hansen
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