Aqueous Solutions, Solvated Interfaces, and Ionic Polarization II

Presentations

• Unraveling correlation effects in water from microscopic response functions

  Invited

  March 6, 2019, 11:15 AM – March 6, 2019, 11:51 AM

  Presenters

  • Deyu Lu

    • Center for Functional Nanomaterials, Brookhaven National Laboratory
    • Brookhaven National Laboratory, Center for Functional Nanomaterials
    • Brookhaven National Laboratory

  Authors

  • Deyu Lu

    • Center for Functional Nanomaterials, Brookhaven National Laboratory
    • Brookhaven National Laboratory, Center for Functional Nanomaterials
    • Brookhaven National Laboratory

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• Tracking holes and their reactivity in photon-driven reactions using Real-Time Time-Dependent Density Functional Theory (RT-TDDFT)

  ORAL

  March 6, 2019, 11:51 AM – March 6, 2019, 12:03 PM

  Presenters

  • Vidushi Sharma

    • Department of Physics and Astronomy, and Institute for Advanced Computational Science, Stony Brook University

  Authors

  • Vidushi Sharma

    • Department of Physics and Astronomy, and Institute for Advanced Computational Science, Stony Brook University

  • Marivi Fernandez Serra

    • Stony Brook University
    • Department of Physics and Astronomy, Institute for Advance Computational Science, Stony Brook University
    • Department of Physics and Astronomy, and Institute for Advanced Computational Science, Stony Brook University
    • Department of Physics and Astronomy, Stony Brook Univerysity, U.S.A.

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• Energy fluctuations in water: How are they coupled to protein dynamics and vice versa?

  ORAL

  March 6, 2019, 12:03 PM – March 6, 2019, 12:15 PM

  Presenters

  • Biman Bagchi

    • Indian Institute of Science

  Authors

  • Saumyak Mukherjee

    • Indian Institute of Science

  • Sayantan Mondal

    • Indian Institute of Science

  • Biman Bagchi

    • Indian Institute of Science

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• Multiscale modeling of systems with confined electrolytes

  ORAL

  March 6, 2019, 12:15 PM – March 6, 2019, 12:27 PM

  Presenters

  • Francisco Solis

    • School of Mathematical and Natural Sciences, Arizona State University Glendale
    • Arizona State University

  Authors

  • Francisco Solis

    • School of Mathematical and Natural Sciences, Arizona State University Glendale
    • Arizona State University

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• Salt Ion Transport Through Carbon Nanotubes: Insights from Polarizable Force Field-Based Molecular Dynamics Simulations

  ORAL

  March 6, 2019, 12:27 PM – March 6, 2019, 12:39 PM

  Presenters

  • Rahul Prasanna Misra

    • Department of Chemical Engineering, Massachusetts Institute of Technology

  Authors

  • Rahul Prasanna Misra

    • Department of Chemical Engineering, Massachusetts Institute of Technology

  • Daniel Blankschtein

    • Department of Chemical Engineering, Massachusetts Institute of Technology

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• Cation-specific effects on the attraction of anions to a hydrophobic surface

  ORAL

  March 6, 2019, 12:39 PM – March 6, 2019, 12:51 PM

  Presenters

  • Travis Douglas

    • Department of Physics and Astronomy, Northwestern University

  Authors

  • Travis Douglas

    • Department of Physics and Astronomy, Northwestern University

  • Miaoqi Chu

    • X-Ray Science Division, Argonne National Laboratory Advanced Photon Source
    • Argonne National Laboratory

  • Sangjun Yoo

    • Department of Physics and Astronomy, Northwestern University

  • Chung-Jong Yu

    • Pohang Accelerator Laboratory, Pohang University of Science and Technology

  • Pulak Dutta

    • Department of Physics and Astronomy, Northwestern University

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• Protonation of headgroups of fatty amines in Langmuir monolayer controlled by surface density

  ORAL

  March 6, 2019, 12:51 PM – March 6, 2019, 1:03 PM

  Presenters

  • Sona Krem

    • Sogang University

  Authors

  • Sona Krem

    • Sogang University

  • Minho Lee

    • Sogang University

  • Sokhuoy Sam

    • Sogang University

  • Woongmo Sung

    • Sogang University

  • Doseok Kim

    • Sogang University

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• First-Principles Study of the Solvation Structure of Tetraglyme based Electrolytes

  ORAL

  March 6, 2019, 1:03 PM – March 6, 2019, 1:15 PM

  Presenters

  • Yang Sun

    • Global Research Center for Environment and Energy Based on Nanomaterials Science, National Institute for Materials Science
    • Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science

  Authors

  • Yang Sun

    • Global Research Center for Environment and Energy Based on Nanomaterials Science, National Institute for Materials Science
    • Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science

  • Ikutaro Hamada

    • Department of Precision Science and Technology, Graduate School of Engineering, Osaka University

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• Ionic Structure in Highly-Concentrated Confined Electrolytes

  ORAL

  March 6, 2019, 1:15 PM – March 6, 2019, 1:27 PM

  Presenters

  • Nasim Anousheh

    • Intelligent Systems Engineering, Indiana University Bloomington

  Authors

  • Nasim Anousheh

    • Intelligent Systems Engineering, Indiana University Bloomington

  • Francisco Solis

    • School of Mathematical and Natural Sciences, Arizona State University Glendale
    • Arizona State University

  • Vikram Jadhao

    • Intelligent Systems Engineering, Indiana University Bloomington

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• Examining Electronic Excitations in Liquid Water under Proton and Photon Irradiation

  ORAL

  March 6, 2019, 1:27 PM – March 6, 2019, 1:39 PM

  Presenters

  • Chris Shepard

    • University of North Carolina at Chapel Hill

  Authors

  • Chris Shepard

    • University of North Carolina at Chapel Hill

  • Dillon C. Yost

    • Department of Chemistry, University of North Carolina at Chapel Hill
    • University of North Carolina at Chapel Hill

  • Yi Yao

    • Department of Chemistry, University of North Carolina at Chapel Hill
    • University of North Carolina at Chapel Hill

  • Yosuke Kanai

    • University of North Carolina, Chapel Hill
    • University of North Carolina at Chapel Hill
    • Department of Chemistry, University of North Carolina at Chapel Hill

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• 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 <sup

  ORAL

  March 6, 2019, 1:39 PM – March 6, 2019, 1:51 PM

  Presenters

  • Hong Zhang

    • Physics, Sichuan University, China

  Authors

  • Hong Zhang

    • Physics, Sichuan University, China

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• A Molecular Dynamics Study of Ion Separation and Water Purification Using Graphene/Carbon Nanotube Filter

  ORAL

  March 6, 2019, 1:51 PM – March 6, 2019, 2:03 PM

  Presenters

  • Samaneh Rikhtehgaran

    • Physics, Florida Atlantic University

  Authors

  • Samaneh Rikhtehgaran

    • Physics, Florida Atlantic University

  • Luc T Wille

    • Physics, Florida Atlantic University

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• K-shell Core Electron Excitations in Electronic Stopping of Protons in Water from First Principles

  ORAL

  March 6, 2019, 2:03 PM – March 6, 2019, 2:15 PM

  Presenters

  • Yi Yao

    • Department of Chemistry, University of North Carolina at Chapel Hill
    • University of North Carolina at Chapel Hill

  Authors

  • Yi Yao

    • Department of Chemistry, University of North Carolina at Chapel Hill
    • University of North Carolina at Chapel Hill

  • Dillon C. Yost

    • Department of Chemistry, University of North Carolina at Chapel Hill
    • University of North Carolina at Chapel Hill

  • Yosuke Kanai

    • University of North Carolina, Chapel Hill
    • University of North Carolina at Chapel Hill
    • Department of Chemistry, University of North Carolina at Chapel Hill

  View abstract →