Tuesday, March 16, 2010
8:00AM - 8:12AM
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H30.00001: Chasing Exotic Binary Alloy Compounds: The Necessary Synergy of Cluster Expansion and High-Throughput Methods
Stefano Curtarolo, Gus L. W. Hart, Ohad Levy
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Tuesday, March 16, 2010
8:12AM - 8:24AM
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H30.00002: Equilibrium and metastable shapes of platinum nanoparticles from first principles
Roman Chepulskyy, Stefano Curtarolo
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Tuesday, March 16, 2010
8:24AM - 8:36AM
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H30.00003: Free energy reconstruction from steered dynamics: applications to vacancy migration in Fe, phase coexistence in FeCr and structural transitions in LJ$38$
Manuel Athenes, Mihai-Cosmin Marinica, Gilles Adjanor
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Tuesday, March 16, 2010
8:36AM - 9:12AM
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H30.00004: First-principles calculations of free energies of solids
Invited Speaker:
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Tuesday, March 16, 2010
9:12AM - 9:24AM
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H30.00005: Stationary properties of the entropy as a functional of the pair correlation and their application to DFT calculations of free energy
D.M. Nicholson, C.Y. Gao, D.J. Keffer
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Tuesday, March 16, 2010
9:24AM - 9:36AM
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H30.00006: Ab initio molecular dynamics simulations of molten Al$_{1-x}$Si$_{x}$ alloys
M. Kim, K. H. Khoo, T.-L. Chan, G. Schofield, James R. Chelikowsky
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Tuesday, March 16, 2010
9:36AM - 9:48AM
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H30.00007: Theoretical study of the atomic structure and thermodynamics of amorphous hafnia
Xuhui Luo, Alex Demkov
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Tuesday, March 16, 2010
9:48AM - 10:24AM
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H30.00008: Generating and utilizing derivative structures
Invited Speaker:
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Tuesday, March 16, 2010
10:24AM - 10:36AM
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H30.00009: Predictions of the $\mathrm{Pt}_{8}\mathrm{Ti}$ phase in unexpected systems
Richard Taylor, Stefano Curtarolo, Gus Hart
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Tuesday, March 16, 2010
10:36AM - 10:48AM
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H30.00010: Calculating Thermodynamic Properties for Classical and DFT Hamiltonians
G. Brown, D. M. Nicholson, M. Eisenbach
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Tuesday, March 16, 2010
10:48AM - 11:00AM
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H30.00011: Geometrical frustration and macroscopic residual entropy in an elemental boron explained by a frustrated Ising model
T. Ogitsu, F. Gygi, J. Reed, M. Udagawa, Y. Motome, E. Schwegler, G. Galli
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