20th Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter
Volume 62, Number 9
Sunday–Friday, July 9–14, 2017;
St. Louis, Missouri
Session Index
Session H5: First Principles and Molecular Dynamics III
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Chair: Alejandro Strachan, Purdue University
Room: Regency Ballroom B
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Tuesday, July 11, 2017
9:15AM - 9:30AM
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H5.00001: ABSTRACT WITHDRAWN
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Tuesday, July 11, 2017
9:30AM - 9:45AM
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H5.00002: Modeling and measurements of XRD spectra of extended solids under high pressure.
I.G. Batyrev, S.P. Coleman, E. Stavrou, J.M. Zaug, J.A. Ciezak-Jenkins
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Tuesday, July 11, 2017
9:45AM - 10:15AM
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H5.00003: Next Generation Extended Lagrangian Quantum-based Molecular Dynamics
Invited Speaker:
Christian Negre
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Tuesday, July 11, 2017
10:15AM - 10:30AM
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H5.00004: Improving Density Functional Tight Binding Predictions of Free Energy Surfaces for Slow Chemical Reactions in Solution
Matthew Kroonblawd, Nir Goldman
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Tuesday, July 11, 2017
10:30AM - 10:45AM
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H5.00005: Force Field Accelerated Density Functional Theory Molecular Dynamics for Simulation of Reactive Systems at Extreme Conditions
Rebecca Lindsey, Nir Goldman, Laurence Fried
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