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

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