Water Dynamics in Different Environments: Experiment and Theory IV. Bulk Water and Solute Hydration

Presentations

• Systematic optimization of atomistic water models for molecular simulation using liquid/vapor surface tension data

  Invited

  March 3, 2020, 2:30 PM – March 3, 2020, 3:06 PM

  Presenters

  • Lee-Ping Wang

    • University of California, Davis

  Authors

  • Lee-Ping Wang

    • University of California, Davis

  • Yudong Qiu

    • University of California, Davis

  • Teresa Head-Gordon

    • Pitzer Center for Theoretical Chemistry, Departments of Chemistry, Chemical and Biomolecular
    • University of California, Berkeley
    • Chemistry, University of California, Berkeley

  • Paul S Nerenberg

    • California State University, Los Angeles

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• Kosmotrope and Chaotrope Salts Influence on Water Structural Relaxation and hydrogen Bond Dynamics Investigated by Coherent Quasielastic Neutron Scattering

  ORAL

  March 3, 2020, 3:06 PM – March 3, 2020, 3:18 PM

  Presenters

  • Antonio Faraone

    • NIST Center for Neutron Research, National Institute of Standards and Technology
    • Center for Neutron Research, National Institute of Standards and Technology
    • NIST Center for Neutron Research, National Institute of Standards & Technology
    • National Institute of Standards and Technology
    • NCNR, NIST

  Authors

  • Antonio Faraone

    • NIST Center for Neutron Research, National Institute of Standards and Technology
    • Center for Neutron Research, National Institute of Standards and Technology
    • NIST Center for Neutron Research, National Institute of Standards & Technology
    • National Institute of Standards and Technology
    • NCNR, NIST

  • Erkan Senses

    • Department of Chemical and Biological Engineering, Koc University
    • Koc University

  • Eugene Mamontov

    • Neutron Scattering Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
    • Oak Ridge National Laboratory
    • Neutron Scattering Division, Oak Ridge National Laboratory
    • Neutron Scattering Division, Neutron Sciences Directorate, Oak Ridge National Laboratory

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• The SCAN330 dataset of first-principles molecular dynamics simulations of water

  ORAL

  March 3, 2020, 3:18 PM – March 3, 2020, 3:30 PM

  Presenters

  • Michael D LaCount

    • University of California, Davis

  Authors

  • Michael D LaCount

    • University of California, Davis

  • Francois Gygi

    • University of California, Davis
    • University of California Davis
    • University of Chicago

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• Sensitizing Hydration Shells of Ions by Analyzing Water Dynamics Using High Sensitive Dielectric Spectroscopy

  ORAL

  March 3, 2020, 3:30 PM – March 3, 2020, 3:42 PM

  Presenters

  • Djamila Lou

    • Department of Physics and Center for Soft Matter and Biological Physics, Virginia Tech

  Authors

  • Djamila Lou

    • Department of Physics and Center for Soft Matter and Biological Physics, Virginia Tech

  • Luan C. Doan

    • Department of Physics and Center for Soft Matter and Biological Physics, Virginia Tech

  • Henry J. Kesting

    • Department of Physics and Center for Soft Matter and Biological Physics, Virginia Tech

  • Vinh Q Nguyen

    • Department of Physics and Center for Soft Matter and Biological Physics, Virginia Tech

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• Spatio-temporal analysis of water molecules around DNA employing extended MHz-THz spectroscopy and MD simulations

  ORAL

  March 3, 2020, 3:42 PM – March 3, 2020, 3:54 PM

  Presenters

  • Abhishek Singh

    • Department of Physics and Center for Soft Matter and Biological Physics, Virginia Tech

  Authors

  • Abhishek Singh

    • Department of Physics and Center for Soft Matter and Biological Physics, Virginia Tech

  • Luan C. Doan

    • Department of Physics and Center for Soft Matter and Biological Physics, Virginia Tech

  • Vinh Q Nguyen

    • Department of Physics and Center for Soft Matter and Biological Physics, Virginia Tech

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• Transient Anisotropy of Liquid Water

  Invited

  March 3, 2020, 3:54 PM – March 3, 2020, 4:30 PM

  Presenters

  • Fabio Novelli

    • Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany

  Authors

  • Fabio Novelli

    • Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany

  • Luis Ruiz Pestana

    • Pitzer Center for Theoretical Chemistry, Departments of Chemistry, Chemical and Biomolecular

  • Kochise Bennett

    • Pitzer Center for Theoretical Chemistry, Departments of Chemistry, Chemical and Biomolecular

  • Nils Dessmann

    • Radboud University, FELIX Laboratory, Toernooiveld 7, Nijmegen, Netherlands

  • Federico Sebastiani

    • Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany

  • Ellen Adams

    • Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany

  • Kamyar Saeedi Ilkhchy

    • Radboud University, FELIX Laboratory, Toernooiveld 7, Nijmegen, Netherlands

  • Nikolas Stavrias

    • Radboud University, FELIX Laboratory, Toernooiveld 7, Nijmegen, Netherlands

  • Viktoria Eless

    • Radboud University, FELIX Laboratory, Toernooiveld 7, Nijmegen, Netherlands

  • Thorsten Ockelmann

    • Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany

  • Alejandro Colchero

    • Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany

  • Claudius Hoberg

    • Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany

  • Gerhard Schwaab

    • Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany

  • Teresa Head-Gordon

    • Pitzer Center for Theoretical Chemistry, Departments of Chemistry, Chemical and Biomolecular
    • University of California, Berkeley
    • Chemistry, University of California, Berkeley

  • Martina Havenith

    • Department of Physical Chemistry II, Ruhr University Bochum, 44780 Bochum, Germany

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• Strong orbital interactions of the Zundel cation H₅O₂⁺ with hydration shell water

  ORAL

  March 3, 2020, 4:30 PM – March 3, 2020, 4:42 PM

  Presenters

  • Erik T. J. Nibbering

    • Max Born Inst

  Authors

  • Maria Ekimova

    • Max Born Inst

  • Carlo Kleine

    • Max Born Inst

  • Jan Ludwig

    • Max Born Inst

  • Miguel Ochmann

    • Institute for Nanostructure and Solid State Physics, University of Hamburg

  • Thomas A. Gustafsson

    • Department of Physics, Stockholm University

  • Eve Kozari

    • Ben-Gurion University of the Negev
    • Department of Chemistry, Ben Gurion University of the Negev

  • EHUD PINES

    • Department of Chemistry, Ben Gurion University of the Negev
    • Ben-Gurion University of the Negev

  • Nils Huse

    • Institute for Nanostructure and Solid State Physics, University of Hamburg

  • Philippe Wernet

    • Department of Physics and Astronomy, Uppsala University

  • Michael Odelius

    • Department of Physics, Stockholm University

  • Erik T. J. Nibbering

    • Max Born Inst

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• Molten hydrate clathrates as a new class of macromolecular fluids.

  ORAL

  March 3, 2020, 4:42 PM – March 3, 2020, 4:54 PM

  Presenters

  • Carlos Lopez-Bueno

    • CIQUS, Quimica-Fisica, University of Santiago de Compostela

  Authors

  • Carlos Lopez-Bueno

    • CIQUS, Quimica-Fisica, University of Santiago de Compostela

  • Carlos Herreros-Lucas

    • CIQUS, Química-Inorgánica, University of Santiago de Compostela

  • Marius Bittermann

    • Van't Hoff Institute for Molecular Sciences, University of Amsterdam

  • Alfredo Amigo

    • Física-Aplicada, University of Santiago de Compostela

  • Sander Woutersen

    • Van't Hoff Institute for Molecular Sciences, University of Amsterdam

  • Maria del Carmen Giménez-López

    • CIQUS, Química-Inorgánica, University of Santiago de Compostela

  • Francisco Rivadulla

    • CIQUS, Quimica-Fisica, University of Santiago de Compostela

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• A New Model for the Structure and Dynamics of the Hydrated Proton in Liquid Acetonitrile and Water

  ORAL

  March 3, 2020, 4:54 PM – March 3, 2020, 5:06 PM

  Presenters

  • EHUD PINES

    • Department of Chemistry, Ben Gurion University of the Negev
    • Ben-Gurion University of the Negev

  Authors

  • Eve Kozari

    • Ben-Gurion University of the Negev
    • Department of Chemistry, Ben Gurion University of the Negev

  • Mark Sigalov

    • Ben-Gurion University of the Negev

  • Dina Pines

    • Ben-Gurion University of the Negev

  • Benjamin Philipp Fingerhut

    • Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy

  • EHUD PINES

    • Department of Chemistry, Ben Gurion University of the Negev
    • Ben-Gurion University of the Negev

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• Determination of Ion–Water Correlated Motions in Aqueous Salt Solutions

  ORAL

  March 3, 2020, 5:06 PM – March 3, 2020, 5:18 PM

  Presenters

  • Yuya Shinohara

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory

  Authors

  • Yuya Shinohara

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory

  • Ray Matsumoto

    • Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA
    • Chemical and Biomolecular Engineering, Vanderbilt University
    • Vanderbilt University

  • Matthew Thompson

    • Chemical and Biomolecular Engineering, Vanderbilt University
    • Vanderbilt University

  • Wojciech Dmowski

    • University of Tennessee, Knoxville

  • Chae Woo Ryu

    • University of Tennessee, Knoxville

  • Takuya Iwashita

    • Oita University

  • Daisuke Ishikawa

    • Japan Synchrotron Radiation Research Institute
    • Materials Dynamics Laboratory, RIKEN SPring-8 Center
    • JASRI/SPring-8

  • Alfred Q. R. Baron

    • RIKEN SPring-8 Center
    • Materials Dynamics Laboratory, RIKEN SPring-8 Center

  • Peter Thomas Cummings

    • Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA
    • Chemical and Biomolecular Engineering, Vanderbilt University
    • Vanderbilt University

  • Takeshi Egami

    • Department of Materials Science and Engineering, University of Tennessee
    • Oak Ridge National Lab
    • University of Tennessee, Knoxville

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• Lysozyme Solution-State Tertiary Structure Measured in Protic and Aprotic Ionic Liquid Aqueous Mixtures

  ORAL

  March 3, 2020, 5:18 PM – March 3, 2020, 5:30 PM

  Presenters

  • Ian Reyes

    • University of Texas, El Paso

  Authors

  • Ian Reyes

    • University of Texas, El Paso

  • Jose L Banuelos

    • Physics, University of Texas at El Paso
    • University of Texas, El Paso
    • Physical Science, University of Texas at El Paso

  View abstract →