Thursday, March 6, 2014
8:00AM - 8:12AM
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S2.00001: Time-dependent density-functional theory for real-time electronic dynamics on material surfaces
Rulin Wang, Dong Hou, Xiao Zheng
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Thursday, March 6, 2014
8:12AM - 8:24AM
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S2.00002: The electrostatic double layer of Pt/water interfaces from first principles molecular dynamics
Clotilde Cucinotta, Pietro Ballone, Stefano Sanvito
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Thursday, March 6, 2014
8:24AM - 8:36AM
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S2.00003: Venturing into the kinetics and mechanism of nanoconfined solid-state reactions: Trimerization of sodium dicyanamide in nanopores
Benjamin Yancey, Sergey Vyazovkin
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Thursday, March 6, 2014
8:36AM - 9:12AM
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S2.00004: Water adsorption and proton conduction in metal-organic frameworks: Insights from molecular simulations
Invited Speaker:
Francesco Paesani
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Thursday, March 6, 2014
9:12AM - 9:24AM
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S2.00005: Simulating and Modeling Transport Through Atomically Thin Membranes
Joseph Ostrowski, Joel Eaves
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Thursday, March 6, 2014
9:24AM - 9:36AM
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S2.00006: Theoretical analysis on ion transport through polymer networks in electrochemical capacitors
Jos W. Zwanikken, Yufei Jing, Vikram Jadhao, Charles E. Sing, Niels Boon, Monica Olvera de la Cruz
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Thursday, March 6, 2014
9:36AM - 9:48AM
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S2.00007: Direct simulation of proton-coupled electron transfer reaction dynamics and mechanisms
Joshua S. Kretchmer, Thomas F. Miller III
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Thursday, March 6, 2014
9:48AM - 10:24AM
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S2.00008: Wetting of hydrophobic and nanostructured surfaces
Invited Speaker:
Alenka Luzar
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Thursday, March 6, 2014
10:24AM - 10:36AM
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S2.00009: Memory in 2D FT Spectra of Quantum Dots
Samuel Park, Dmitry Baranov, Byungmoon Cho, Trevor Courtney, David Jonas
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Thursday, March 6, 2014
10:36AM - 10:48AM
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S2.00010: First-principles study of single water interactions with theLaMnO$_3$ surface in the presence of defects, Sr substitution and varied surface morphologies
Chris Billman, Hai-ping Cheng
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Thursday, March 6, 2014
10:48AM - 11:00AM
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S2.00011: Nucleus-Coupled Electron Transfer Mechanism for TiO2-Catalyzed Water Splitting
Yiyang Sun, Michael Lucking, Damien West, Shengbai Zhang
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