Monday, March 13, 2017
8:00AM - 8:36AM
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A26.00001: Unravelling the structure and dynamics of concentrated aqueous proton defects using simulations incorporating both nuclear and electronic quantum effects.
Invited Speaker:
Thomas Markland
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Monday, March 13, 2017
8:36AM - 9:12AM
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A26.00002: Dielectric Spectroscopy of Water: From Collective Relaxation to Quantum Effects
Invited Speaker:
Alexei Sokolov
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Monday, March 13, 2017
9:12AM - 9:48AM
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A26.00003: Theoretical and Computational Studies of the IR Spectra of Small Water and Protonated Water Clusters
Invited Speaker:
Joel Bowman
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Monday, March 13, 2017
9:48AM - 10:00AM
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A26.00004: Effects of the hydrogen-bonded network on the molecular polarizability of water
Deyu Lu
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Monday, March 13, 2017
10:00AM - 10:12AM
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A26.00005: The Molecular Structural and Electronic Properties of Liquid Water by {\it ab initio} Molecular Dynamics Simulation Based on SCAN Density Functional
Lixin Zheng, Zhaoru Sun, Xifan Wu
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Monday, March 13, 2017
10:12AM - 10:24AM
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A26.00006: Quantum nature of protons in water probed by scanning tunneling microscopy and spectroscopy
Jing Guo, Jing-Tao Lü, Yexin Feng, Ji Chen, Jinbo Peng, Zeren Lin, Xiangzhi Meng, Zhichang Wang, Xin-Zheng Li, En-Ge Wang, Ying Jiang
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Monday, March 13, 2017
10:24AM - 10:36AM
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A26.00007: Why does hydronium diffuse much faster than hydroxide in liquid water?
Mohan Chen, Lixin Zheng, Biswajit Santra, Hsin-Yu Ho, Robert DiStasio Jr., Michael Klein, Roberto Car, Xifan Wu
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Monday, March 13, 2017
10:36AM - 10:48AM
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A26.00008: Discovering local order parameters in liquid water using machine learning
Adrian Soto, Deyu Lu, Shinjae Yoo, Marivi Fernandez-Serra
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Monday, March 13, 2017
10:48AM - 11:00AM
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A26.00009: Conformation-Specific Infrared and Ultraviolet Spectroscopy of Cold [YAPAA$+$H]$^{\mathrm{+}}$ and [YGPAA$+$H]$^{\mathrm{+}}$ Ions
Andrew DeBlase, Christopher Harrilal, John Lawler, Nicole Burke, Scott McLuckey, Zwier Timothy
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