First Principles and Molecular Dynamics III
FOCUS · H5 ·
Presentations
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ABSTRACT WITHDRAWN
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Modeling and measurements of XRD spectra of extended solids under high pressure.
ORAL
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Authors
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I.G. Batyrev
- US Army Research Laboratory
- US Army Research Laboratory, APG, MD 21005-5069
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S.P. Coleman
- US Army Research Laboratory, APG, MD 21005-5069
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E. Stavrou
- Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, CA 94550
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J.M. Zaug
- Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, CA 94550
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J.A. Ciezak-Jenkins
- US Army Research Laboratory, APG, MD 21005-5069
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Next Generation Extended Lagrangian Quantum-based Molecular Dynamics
COFFEE_KLATCH · Invited
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Authors
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Christian Negre
- Los Alamos National Laboratory
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Improving Density Functional Tight Binding Predictions of Free Energy Surfaces for Slow Chemical Reactions in Solution
ORAL
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Authors
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Matthew Kroonblawd
- Lawrence Livermore National Laboratory
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Nir Goldman
- Lawrence Livermore Natl Lab
- Lawrence Livermore National Laboratory
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Force Field Accelerated Density Functional Theory Molecular Dynamics for Simulation of Reactive Systems at Extreme Conditions
ORAL
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Authors
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Rebecca Lindsey
- Lawrence Livermore Natl Lab
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Nir Goldman
- Lawrence Livermore Natl Lab
- Lawrence Livermore National Laboratory
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Larry Fried
- Lawrence Livermore Natl Lab
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