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, 8:15 AM – March 21, 2005, 8:51 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, 8:51 AM – March 21, 2005, 9:27 AM

  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, 9:27 AM – March 21, 2005, 10:03 AM

  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, 10:03 AM – March 21, 2005, 10:39 AM

  Authors

  • Eric Schwegler

    • Lawrence Livermore National Laboratory

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• Proton Solvation and Transport in Aqueous Environments

  COFFEE_KLATCH · Invited

  March 21, 2005, 10:39 AM – March 21, 2005, 11:15 AM

  Authors

  • Gregory Voth

    • University of Utah

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