Bulk Water: Experiment and Theory

Presentations

• Accurate path integral molecular dynamics simulation of ab-initio water at near-zero added cost

  ORAL

  March 16, 2016, 8:00 AM – March 16, 2016, 8:12 AM

  Authors

  • Daniel Elton

    • Stony Brook University

  • Michelle Fritz

    • Universidad Autonoma de Madrid
    • Universidad Autónoma de Madrid

  • Jose M. Soler

    • Universidad Autonoma de Madrid
    • Universidad Autónoma de Madrid

  • Marivi Fernandez-Serra

    • Stony Brook University
    • State Univ of NY- Stony Brook
    • SUNY-Stony Brook
    • Stony Brook University, USA

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• ABSTRACT WITHDRAWN

  March 16, 2016, 8:12 AM – March 16, 2016, 8:24 AM

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• X-ray absorption of liquid water studied by advanced \textit{ab initio} methods

  ORAL

  March 16, 2016, 8:24 AM – March 16, 2016, 8:36 AM

  Authors

  • Zhaoru Sun

    • Temple University

  • Jianping Wang

    • Temple University

  • Wei Kang

    • Peking University

  • Roberto Car

    • Princeton University
    • Dept. of Chemistry, Princeton University

  • Xifan Wu

    • Temple Univ
    • Temple University

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• Why does hydronium diffuse faster than hydroxide in liquid water?

  ORAL

  March 16, 2016, 8:36 AM – March 16, 2016, 8:48 AM

  Authors

  • Lixin Zheng

    • Temple University

  • Biswajit Santra

    • Princeton University, Princeton, USA
    • Princeton University

  • Robert DiStasio

    • Cornell University

  • Michael Klein

    • Temple University

  • Roberto Car

    • Princeton University
    • Dept. of Chemistry, Princeton University

  • Xifan Wu

    • Temple Univ
    • Temple University

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• Electrical Mobility of Protons and Proton-Holes in Pure Water Characterized by Physics-Based Water Model.

  ORAL

  March 16, 2016, 8:48 AM – March 16, 2016, 9:00 AM

  Authors

  • Binbin Jie

    • Department of Physics, Xiamen University, China

  • Chihtang Sah

    • Department of Physics, Xiamen University, China

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• Nuclear Quantum Effects in Different Ice Phases

  ORAL

  March 16, 2016, 9:00 AM – March 16, 2016, 9:12 AM

  Authors

  • Marivi Fernandez-Serra

    • Stony Brook University
    • State Univ of NY- Stony Brook
    • SUNY-Stony Brook
    • Stony Brook University, USA

  • Betul Pamuk

    • CNRS and Universit\'{e} Pierre et Marie Curie

  • P. B. Allen

    • Stony Brook University
    • State Univ of NY- Stony Brook

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• Electron Traps at the Ice Surface

  ORAL

  March 16, 2016, 9:12 AM – March 16, 2016, 9:24 AM

  Authors

  • Michel Bockstedte

    • Theor. Festkoerperphysik, FAU Erlangen-Nuernberg, Erlangen, Germany
    • Solid State Physics, FAU Erlangen-Nürnberg, Erlangen Germany

  • Philipp Auburger

    • Theor. Festkoerperphysik, FAU Erlangen-Nuernberg, Erlangen, Germany

  • Anja Michl

    • Theor. Festkoerperphysik, FAU Erlangen-Nuernberg, Erlangen, Germany

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• Quantum Water Ice

  ORAL

  March 16, 2016, 9:24 AM – March 16, 2016, 9:36 AM

  Authors

  • Nic Shannon

    • Okinawa Institute of Science and Technology Graduate University

  • Owen Benton

    • Okinawa Inst of Sci & Tech
    • Okinawa Institute of Science and Technology Graduate University

  • Olga Sikora

    • Jagiellonian University, Krakow

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• Role of Inter-molecular Charge Transfer in Simulating Concentration Dependent Water Diffusivity of Aqueous Salt Solutions

  ORAL

  March 16, 2016, 9:36 AM – March 16, 2016, 9:48 AM

  Authors

  • Yi Yao

    • Univ of NC - Chapel Hill
    • University of North Carolina at Chapel Hill

  • Max Berkowitz

    • Univ of NC - Chapel Hill

  • Yosuke Kanai

    • Univ of NC - Chapel Hill
    • University of North Carolina at Chapel Hill

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• Ab initio Determination of Formation Energies and Charge Transfer Levels of Charged Ions in Water.

  ORAL

  March 16, 2016, 9:48 AM – March 16, 2016, 10:00 AM

  Authors

  • Anoop Kishore Vatti

    • Department for Computational Materials Design,Max-Planck-Insitut fuer Eisenforschung GmbH, Duesseldorf, Germany

  • Mira Todorova

    • Department for Computational Materials Design,Max-Planck-Insitut fuer Eisenforschung GmbH, Duesseldorf, Germany
    • Max Planck Inst f\"ur Eisenforschung GmbH

  • J\"org Neugebauer

    • Department for Computational Materials Design,Max-Planck-Insitut fuer Eisenforschung GmbH, Duesseldorf, Germany
    • Max Planck Inst f\"ur Eisenforschung GmbH

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• Orientational relaxation of OH-bond in water over short to intermediate timescales

  ORAL

  March 16, 2016, 10:00 AM – March 16, 2016, 10:12 AM

  Authors

  • Ping-Han Tang

    • Natl Chiao Tung Univ

  • Suan-Jen Lin

    • Natl Chiao Tung Univ

  • Ten-Ming Wu

    • Natl Chiao Tung Univ

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• What is the effective molecular polarizability of water in condensed phases?

  ORAL

  March 16, 2016, 10:12 AM – March 16, 2016, 10:24 AM

  Authors

  • Xiaochuan Ge

    • Brookhaven National Laboratory

  • Deyu Lu

    • Brookhaven National Laboratory
    • Brookhaven National Lab

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• Metastable liquid-liquid phase separation and criticality in water-like models

  ORAL

  March 16, 2016, 10:24 AM – March 16, 2016, 10:36 AM

  Authors

  • RAKESH SINGH

    • Princeton University

  • John Biddle

    • University of Maryland

  • Pablo Debenedetti

    • Princeton University

  • Mikhail Anisimov

    • University of Maryland

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• Structure Evolution of Metal Nanoparticles in Water Environment.

  ORAL

  March 16, 2016, 10:36 AM – March 16, 2016, 10:48 AM

  Authors

  • Yi Gao

    • Shanghai Institute of Applied Physics, Chinese Academy of Sciences

  • Beien Zhu

    • Shanghai Institute of Applied Physics, Chinese Academy of Sciences

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• Ionic structure in electrolyte confined by dielectric interfaces

  ORAL

  March 16, 2016, 10:48 AM – March 16, 2016, 11:00 AM

  Authors

  • Yufei Jing

    • Northwestern University
    • Northwstern University

  • Vikram Jadhao

    • Johns Hopkins University
    • The Johns Hopkins University

  • Jos W. Zwanikken

    • University of Massachusetts, Lowell

  • Monica Olvera de la Cruz

    • Northwestern University
    • Northwestern Univ
    • Northwstern University
    • Northwestern University Department of Materials Science
    • Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208

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