Wednesday, March 6, 2019
11:15AM - 11:51AM
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L16.00001: Unraveling correlation effects in water from microscopic response functions
Invited Speaker:
Deyu Lu
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Wednesday, March 6, 2019
11:51AM - 12:03PM
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L16.00002: Tracking holes and their reactivity in photon-driven reactions using Real-Time Time-Dependent Density Functional Theory (RT-TDDFT)
Vidushi Sharma, Marivi Fernandez Serra
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Wednesday, March 6, 2019
12:03PM - 12:15PM
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L16.00003: Energy fluctuations in water: How are they coupled to protein dynamics and vice versa?
Saumyak Mukherjee, Sayantan Mondal, Biman Bagchi
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Wednesday, March 6, 2019
12:15PM - 12:27PM
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L16.00004: Multiscale modeling of systems with confined electrolytes
Francisco Solis
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Wednesday, March 6, 2019
12:27PM - 12:39PM
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L16.00005: Salt Ion Transport Through Carbon Nanotubes: Insights from Polarizable Force Field-Based Molecular Dynamics Simulations
Rahul Prasanna Misra, Daniel Blankschtein
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Wednesday, March 6, 2019
12:39PM - 12:51PM
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L16.00006: Cation-specific effects on the attraction of anions to a hydrophobic surface
Travis Douglas, Miaoqi Chu, Sangjun Yoo, Chung-Jong Yu, Pulak Dutta
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Wednesday, March 6, 2019
12:51PM - 1:03PM
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L16.00007: Protonation of headgroups of fatty amines in Langmuir monolayer controlled by surface density
Sona Krem, Minho Lee, Sokhuoy Sam, Woongmo Sung, Doseok Kim
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Wednesday, March 6, 2019
1:03PM - 1:15PM
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L16.00008: First-Principles Study of the Solvation Structure of Tetraglyme based Electrolytes
Yang Sun, Ikutaro Hamada
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Wednesday, March 6, 2019
1:15PM - 1:27PM
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L16.00009: Ionic Structure in Highly-Concentrated Confined Electrolytes
Nasim Anousheh, Francisco Solis, Vikram Jadhao
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Wednesday, March 6, 2019
1:27PM - 1:39PM
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L16.00010: Examining Electronic Excitations in Liquid Water under Proton and Photon Irradiation
Chris Shepard, Dillon C. Yost, Yi Yao, Yosuke Kanai
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Wednesday, March 6, 2019
1:39PM - 1:51PM
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L16.00011: TDDFT approach on laser field enhancement by carbon nanotube and photo-decomposition of water
Hong Zhang1, Yoshiyuki Miyamoto2, Xinlu Cheng1, Angel Rubio3
1College of Physical Science and Technology, Sichuan University, Chengdu 610065, China
Hong Zhang
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Wednesday, March 6, 2019
1:51PM - 2:03PM
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L16.00012: A Molecular Dynamics Study of Ion Separation and Water Purification Using Graphene/Carbon Nanotube Filter
Samaneh Rikhtehgaran, Luc T Wille
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Wednesday, March 6, 2019
2:03PM - 2:15PM
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L16.00013: K-shell Core Electron Excitations in Electronic Stopping of Protons in Water from First Principles
Yi Yao, Dillon C. Yost, Yosuke Kanai
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