Phase Transitions III: Molecular Dynamics
ORAL · P4 ·
Presentations
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A High Pressure-Temperature Density Functional Tight Binding Model for Carbon with Dispersion Corrections
ORAL
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Authors
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Chris Cannella
- Lawrence Livermore National Laboratory
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Nir Goldman
- Lawrence Livermore National Laboratory
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Molecular Simulation of the Free Energy for the Accurate Determination of Phase Transition Properties of Molecular Solids
ORAL
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Authors
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Michael Sellers
- US Army Rsch Lab - Aberdeen
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Martin Lisal
- Laboratory of Chemistry and Physics of Aerosols, Institute of Chemical Process Fundamentals of the ASCR
- Institute of Chemical Process Fundamentals of the ASCR
- ICPF - Academy of Sciences of the Czech Republic
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John Brennan
- US Army Rsch Lab - Aberdeen
- U.S. Army Rsch Lab - Aberdeen
- US Army Research Laboratory
- U.S. Army Research Lab
- U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005
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Vibrational and Thermophysical Properties of PETN from First Principles
ORAL
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Authors
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Joseph Gonzalez
- University of South Florida, Tampa, FL, 33620
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Aaron Landerville
- University of South Florida, Tampa, FL, 33620
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Ivan Oleynik
- University of South Florida, Tampa, FL, 33620
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