Advances in Molecular Dynamics Simulation: From Atomistic to Coarse Grained Models - II
FOCUS · C25 ·
Presentations
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Many-Body Molecular Dynamics: Chemical and Spectroscopic Accuracy from the Gas to the Condensed Phase
COFFEE_KLATCH · Invited
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Authors
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Francesco Paesani
- University of California, San Diego
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Rate Theory on Ion Pairings at the Liquid/Vapor Interface of Water
ORAL
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Authors
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liem dang
- Pacific Northwest Natl Lab
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Friction at ice-Ih / water interfaces
ORAL
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Authors
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Patrick B. Louden
- University of Notre Dame
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J. Daniel Gezelter
- University of Notre Dame
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First principles molecular dynamics of heterogenous materials
COFFEE_KLATCH · Invited
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Authors
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Giulia Galli
- Univ of Chicago and Argonne National Laboratory
- Univ of Chicago
- University of Chicago; Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago; Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago and Materials Science Division, Argonne Natl Lab
- Institute for Molecular Engineering, University of Chicago; Materials Science Division, Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago, Chicago, IL 60637 and Materials Science Division, Argonne National Laboratory, Lemont, IL
- Institute for Molecular Engineering, University of Chicago and Argonne Natl Lab
- University of Chicago, Chicago, IL 60637, USA
- The University of Chicago, Institute for Molecular Engineering and Argonne National Laboratory
- Argonne National Laboratory and University of Chicago
- Institute for Molecular Engineering, University of Chicago and Materials Science Division, Argonne National Laboratory
- University of Chicago
- The University of Chicago
- University of Chicago and Argonne National Laboratory
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A Gaussian Approximation Potential for Silicon
ORAL
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Authors
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Noam Bernstein
- Naval Research Lab
- U.S. Naval Research Laboratory
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Albert Bart\'ok
- Rutherford Appleton Laboratory
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James Kermode
- University of Warwick
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G\'abor Cs\'anyi
- Cambridge University
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Computational photoelectron spectroscopy of liquid water
ORAL
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Authors
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Alex P. Gaiduk
- University of Chicago
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Tuan Anh Pham
- Lawrence Livermore National Laboratory
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Marco Govoni
- Institute for Molecular Engineering, University of Chicago; Materials Science Division, Argonne National Laboratory
- Argonne National Laboratory and University of Chicago
- Materials Science Division, Argonne National Laboratory and Institute for Molecular Engineering, University of Chicago and
- University of Chicago and Argonne National Laboratory
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Francesco Paesani
- University of California, San Diego
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Giulia Galli
- Univ of Chicago and Argonne National Laboratory
- Univ of Chicago
- University of Chicago; Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago; Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago and Materials Science Division, Argonne Natl Lab
- Institute for Molecular Engineering, University of Chicago; Materials Science Division, Argonne National Laboratory
- Institute for Molecular Engineering, University of Chicago, Chicago, IL 60637 and Materials Science Division, Argonne National Laboratory, Lemont, IL
- Institute for Molecular Engineering, University of Chicago and Argonne Natl Lab
- University of Chicago, Chicago, IL 60637, USA
- The University of Chicago, Institute for Molecular Engineering and Argonne National Laboratory
- Argonne National Laboratory and University of Chicago
- Institute for Molecular Engineering, University of Chicago and Materials Science Division, Argonne National Laboratory
- University of Chicago
- The University of Chicago
- University of Chicago and Argonne National Laboratory
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Self-assembly and GPU MD -- invited talk
COFFEE_KLATCH · Invited
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Authors
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Sharon Glotzer
- Univ of Michigan - Ann Arbor
- University of Michigan
- Department of Chemical Engineering, Department of Physics, Department of Material Science and Engineering, University of Michigan, Ann Arbor
- Department of Physics, Department of Chemical Engineering, University of Michigan
- Department of Chemical Engineering, Department of Material Science and Engineering
- Department of Chemical Engineering, University of Michigan, Ann Arbor
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Molecular dynamics simulations of bimetallic nanocatalysts, guided by X-ray Absorption Fine Structure data
ORAL
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Authors
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Janis Timosenko
- Stony Brook University
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Anatoly Frenkel
- Dept of Materials Science and Chemical Engineering, Stony Brook University
- Stony Brook University
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Abstract Withdrawn
ORAL · Withdrawn
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