Condensed-Phase Dynamics, Solvation, and Statistical Mechanics

Presentations

• Solvated Hydroxide and Hydronium in Water Studied by ab initio Molecular Dynamics Based on PBE0 Hybrid Functional with van der Waals Interation

  ORAL

  March 7, 2014, 11:15 AM – March 7, 2014, 11:27 AM

  Authors

  • Lixin Zheng

    • Temple Univ

  • Charles Swartz

    • Temple Univ
    • Temple University

  • Xifan Wu

    • Physics Department, Temple University, Philadelphia, PA 19122, USA
    • Temple Univ
    • Temple University
    • Physics Department, Temple University, PA 19122, USA
    • Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA

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• Computational Modeling of Actinide Ions in Aqueous Solution

  ORAL

  March 7, 2014, 11:27 AM – March 7, 2014, 11:39 AM

  Authors

  • Raymond Atta-Fynn

    • Department of Physics, The University of Texas at Arlington

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• A new method for studying nucleation in aqueous environment

  ORAL

  March 7, 2014, 11:39 AM – March 7, 2014, 11:51 AM

  Authors

  • Raffaela Cabriolu

    • Department of Civil and Environmental Engineering, George Washington University

  • Tianshu Li

    • Department of Civil and Environmental Engineering, George Washington University

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• On the Consequences of Clausius-Duhem Inequality for Electrolyte Solutions

  ORAL

  March 7, 2014, 11:51 AM – March 7, 2014, 12:03 PM

  Authors

  • Martina Reis

    • University of Campinas- UNICAMP, Campinas, Brazil

  • Adalberto Bono Maurizio Sacchi Bassi

    • University of Campinas- UNICAMP, Campinas, Brazil

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• Putting water on a lattice: The importance of long wavelength density fluctuations in theories of hydrophobic and interfacial phenomena.

  ORAL

  March 7, 2014, 12:03 PM – March 7, 2014, 12:15 PM

  Authors

  • Suriyanarayanan Vaikuntanathan

    • University of California, Berkeley
    • Univ of California - Berkeley

  • Phillip Geissler

    • University of California, Berkeley
    • Univ of California - Berkeley

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• Effetively trapping air or lqiud water for anti-icing applications

  ORAL

  March 7, 2014, 12:15 PM – March 7, 2014, 12:27 PM

  Authors

  • Jianjun Wang

    • Institute of Chemistry, Chinese Academy of Sciences

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• Stretched-water equation of state at low temperatures

  ORAL

  March 7, 2014, 12:27 PM – March 7, 2014, 12:39 PM

  Authors

  • Michael Santiago

    • Cornell Univ

  • Vinay Pagay

    • Cornell Univ

  • David Sessoms

    • Cornell Univ

  • Abraham Stroock

    • Cornell Univ

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• Charge-Controlled Colloids on Liquid-Liquid Interfaces

  ORAL

  March 7, 2014, 12:39 PM – March 7, 2014, 12:51 PM

  Authors

  • Daniel A. Kunz

    • Harvard University, SEAS Department of Physics

  • Bernd Reck

    • BASF SE

  • Vinothan Manoharan

    • School of Engineering and Applied Sciences, Harvard University, Cambridge, MA, USA
    • Harvard University, School of Engineering and Applied Sciences and the Department of Physics
    • Harvard University, SEAS Department of Physics
    • Harvard Univ
    • Harvard University

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• Toward an Accurate Model for the Line Shape Analysis of 2D Correlation Spectra

  ORAL

  March 7, 2014, 12:51 PM – March 7, 2014, 1:03 PM

  Authors

  • Mohammadhasan Dinpajooh

    • Arizona State Univ

  • Dmitry Matyushov

    • Arizona State Univ

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• Structure and Dynamics of Octamethyl-POSS Nanoparticles

  ORAL

  March 7, 2014, 1:03 PM – March 7, 2014, 1:15 PM

  Authors

  • Michael Crawford

    • DuPont Company

  • Kerwin Dobbs

    • DuPont Company

  • Robert Smalley

    • DuPont Company

  • William Guise

    • DuPont Company

  • N. Jalarvo

    • Spallation Neutron Source, Oak Ridge National Laboratory
    • Neutron Scattering Sciences Division, ORNL

  • Olivier Gourdon

    • Spallation Neutron Source, Oak Ridge National Laboratory

  • Georg Ehlers

    • Spallation Neutron Source, Oak Ridge National Laboratory
    • Oak Ridge National Laboratory
    • Quantum Condensed Matter Division, Oak Ridge National Laboratory

  • Anibal Ramirez-Cuesta

    • Spallation Neutron Source, Oak Ridge National Laboratory

  • Christoph Wildgruber

    • Spallation Neutron Source, Oak Ridge National Laboratory

  • Madhusudan Tyagi

    • NIST Center for Neutron Research
    • 3NIST Center for Neutron Research, National Institute for Standards and Technology

  • Sanat K. Kumar

    • Columbia Univ
    • Columbia University

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• IR Spectroscopy of Gasses Evolved During Roasting Coffee Beans

  ORAL

  March 7, 2014, 1:15 PM – March 7, 2014, 1:27 PM

  Authors

  • Alexander Clain

    • Union College

  • Xavier Capaldi

    • Union College

  • Samuel Amanuel

    • Union College

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• A First-Principles Polarized Raman Method for Determining Whether a Sample is Crystalline or Isotropic

  ORAL

  March 7, 2014, 1:27 PM – March 7, 2014, 1:39 PM

  Authors

  • Andrew Weisman

    • Columbia University

  • Kateri DuBay

    • University of Virginia

  • Katherine Willets

    • The University of Texas at Austin

  • Richard Friesner

    • Columbia University

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• Rotation-induced grain growth and stagnation in phase-field crystal models

  ORAL

  March 7, 2014, 1:39 PM – March 7, 2014, 1:51 PM

  Authors

  • Jens Tarp

    • Niels Bohr Institute, University of Copenhagen

  • Mathias Bjerre

    • Niels Bohr Institute, University of Copenhagen

  • Luiza Angheluta

    • Physics of Geological Processes, Department of Physics, University of Oslo

  • Joachim Mathiesen

    • Niels Bohr Institute, University of Copenhagen

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• Nested Sampling as a blind search method in condensed matter systems

  ORAL

  March 7, 2014, 1:51 PM – March 7, 2014, 2:03 PM

  Authors

  • Robert Baldock

    • University of Cambridge

  • Gabor Csanyi

    • University of Cambridge

  • Livia Bartok-Partay

    • University of Cambridge

  • Albert Bartok-Partay

    • University of Cambridge

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• Pulling at the fabric of the exotic phase diagram for a simple 2D model

  ORAL

  March 7, 2014, 2:03 PM – March 7, 2014, 2:15 PM

  Authors

  • Ahmad Almudallal

    • Memorial University of Newfoundland

  • Ivan Saika-Voivod

    • Memorial University of Newfoundland

  • Sergey Buldyrev

    • Yeshiva University

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