Wednesday, March 15, 2017
8:00AM - 8:12AM
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K26.00001: Water confined between hydrophobic and hydrophilic plates
Zhenghan Gao, Nicolas Giovambattista, Ozgur Sahin
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Wednesday, March 15, 2017
8:12AM - 8:24AM
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K26.00002: Structural characterizations of water-metal interfaces with large-scale first principles molecular dynamics
Kevin Ryczko, Isaac Tamblyn
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Wednesday, March 15, 2017
8:24AM - 8:36AM
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K26.00003: Dynamics of N-methylacetamide in methanol via ab initio molecular dynamics
Vivek K. Yadav, Michael L. Klein
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Wednesday, March 15, 2017
8:36AM - 8:48AM
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K26.00004: Predicting the electronic properties of aqueous solutions from first-principles
Eric Schwegler, Tuan Anh Pham, Marco Govoni, Robert Seidel, Stephen Bradforth, Giulia Galli
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Wednesday, March 15, 2017
8:48AM - 9:00AM
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K26.00005: Wetting transitions in alkane-water systems for nanodroplets and planar interfaces
Pauf Neupane, Fawaz Hrahsheh, Gerald Wilemski
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Wednesday, March 15, 2017
9:00AM - 9:12AM
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K26.00006: Qualitative differences between simulations and experiments of confined glasses
Robert Riggleman, Yue Zhang, Zahra Fakhraai
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Wednesday, March 15, 2017
9:12AM - 9:24AM
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K26.00007: Accuracy of Density Functional Theory to Predict Vapor-Liquid Equilibria
Neeraj Rai, Himanshu Goel, Zachary Windom, Charles Butler, Amber Jackson, Anna Taconi, Breanna Ellis
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Wednesday, March 15, 2017
9:24AM - 9:36AM
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K26.00008: Structural and functional analysis of glycoprotein butyrylcholinesterase using atomistic molecular dynamics
Austen Bernardi, Roland Faller
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Wednesday, March 15, 2017
9:36AM - 9:48AM
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K26.00009: Multiscale modeling for confined fluids in open framework materials.
Jianzhong Wu
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Wednesday, March 15, 2017
9:48AM - 10:00AM
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K26.00010: Molecular insights into early stage aggregation of di-Fmoc-L-lysine in binary mixture of organic solvent and water
Md Masrul Huda, Neeraj Rai
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Wednesday, March 15, 2017
10:00AM - 10:12AM
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K26.00011: Structural and Physical Properties of Ionic Liquid Mixtures
Seoncheol Cha, Doseok Kim
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Wednesday, March 15, 2017
10:12AM - 10:24AM
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K26.00012: Cl- solution studied by \textit{ab initio} molecular dynamics considering nuclear quantum effect on proton
Zhaoru Sun, Mohan Chen, Xifan Wu
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Wednesday, March 15, 2017
10:24AM - 10:36AM
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K26.00013: Retardation of Bulk Water Dynamics by Disaccharide Osmolytes
Nimesh Shukla, Lee Chen, Enrico Pomarico, Majed Chergui, Christina Othon
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Wednesday, March 15, 2017
10:36AM - 10:48AM
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K26.00014: Two different ground states in K-doped polyacenes
satoshi heguri, Quynh Phan Thi Nhu, hiroyuki tamura, takehito nakano, yasuo nozue, katsumi tanigaki
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