Theoretical and Computational Studies of Water

Presentations

• X-ray Absorption Spectroscopy and Electronic Structure Calculations of Water and Ice

  COFFEE_KLATCH · Invited

  March 21, 2005, 11:15 AM – March 21, 2005, 11:51 AM

  Authors

  • Lars G.M. Pettersson

    Dept of Physics, Stockholm University

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• Super-cooled and glassy water and liquid-liquid phase transitions: a computer simulation perspective

  COFFEE_KLATCH · Invited

  March 21, 2005, 11:51 AM – March 21, 2005, 12:27 PM

  Authors

  • Francesco Sciortino

    Dipartimento di Fisica Roma I La Sapienza

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• Ab-initio simulations of liquid water: dielectric and hydrophobic effects

  COFFEE_KLATCH · Invited

  March 21, 2005, 12:27 PM – March 21, 2005, 1:03 PM

  Authors

  • Roberto Car

    Princeton Inst. for the Science and Tech. of Materials, Princeton University, Princeton NJ 08544, Department of Chemistry, Princeton University, Department of Chemistry and Princeton Institute for the Science and Technology of Materials, Princeton University, Princeton, USA, Princeton University

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• Structural and dynamical properties of water under ambient and high-pressure conditions

  COFFEE_KLATCH · Invited

  March 21, 2005, 1:03 PM – March 21, 2005, 1:39 PM

  Authors

  • Eric Schwegler

    Lawrence Livermore National Laboratory

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• Proton Solvation and Transport in Aqueous Environments

  COFFEE_KLATCH · Invited

  March 21, 2005, 1:39 PM – March 21, 2005, 2:15 PM

  Authors

  • Gregory Voth

    University of Utah

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