Wednesday, February 29, 2012
8:00AM - 8:36AM
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P35.00001: Exactly Embedded Density Functional Theory for Modeling Chemical Reactions
Invited Speaker:
Thomas Miller
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Wednesday, February 29, 2012
8:36AM - 8:48AM
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P35.00002: Exactly embedded DFT for the efficient simulation of large systems
Taylor Barnes, Jason Goodpaster, Thomas Miller
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Wednesday, February 29, 2012
8:48AM - 9:00AM
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P35.00003: A unified quantum mechanics embedding theory for materials and molecules
Chen Huang, Michele Pavone, Emily Carter
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Wednesday, February 29, 2012
9:00AM - 9:12AM
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P35.00004: Multi-level partitioning using embedded density functional theory
Jason Goodpaster, Taylor Barnes, Thomas Miller
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Wednesday, February 29, 2012
9:12AM - 9:48AM
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P35.00005: Partition Density Functional Theory
Invited Speaker:
Adam Wasserman
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Wednesday, February 29, 2012
9:48AM - 10:00AM
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P35.00006: Finding Partition Potentials
Jonathan Nafziger, Morrel Cohen, Adam Wasserman
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Wednesday, February 29, 2012
10:00AM - 10:12AM
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P35.00007: Temperature dependence of Thomas-Fermi errors
Aurora Pribram-Jones, Kieron Burke
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Wednesday, February 29, 2012
10:12AM - 10:24AM
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P35.00008: Exact Conditions in Finite-Temperature Density-Functional Theory
S. Pittalis, C.R. Proetto, A. Floris, A. Sanna, C. Bersier, K. Burke, E.K.U. Gross
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Wednesday, February 29, 2012
10:24AM - 10:36AM
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P35.00009: Systematic Results in Finite Temperature DFT
Tamas Gal, James Dufty
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Wednesday, February 29, 2012
10:36AM - 10:48AM
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P35.00010: Finite Temperature Scaling of the Free Energy Density Functional
James Dufty, Valentine Karasiev, Samuel Trickey
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Wednesday, February 29, 2012
10:48AM - 11:00AM
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P35.00011: Construction of Generalized Gradient Approximation Free Energy Density Functionals
Sam Trickey, Valentin Karasiev, Travis Sjostrom
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