Tuesday, March 14, 2006
2:30PM - 2:42PM
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K31.00001: Integrated Density of States Lloyd's Formula for Disordered Alloys with Short-Range Order via a KKR-based Dynamical Cluster Approximation
D. A. Biava, Subhradip Ghosh, W. A. Shelton, D. D. Johnson
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Tuesday, March 14, 2006
2:42PM - 2:54PM
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K31.00002: New modeling approach for the deformation of fractal hierarchical structures.
Catalin Picu, Monica Soare
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Tuesday, March 14, 2006
2:54PM - 3:06PM
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K31.00003: Medium-Range Structural Properties of Vitreous Germania Obtained through First-Principles Analysis of Vibrational Spectra
Luigi Giacomazzi, Paolo Umari, Alfredo Pasquarello
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Tuesday, March 14, 2006
3:06PM - 3:42PM
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K31.00004: Predicting complex ground state structures from first principles: genetic algorithm for finding accurate coarse-grained Hamiltonians
Invited Speaker:
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Tuesday, March 14, 2006
3:42PM - 3:54PM
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K31.00005: Accurate prediction of x-ray absorption spectra using density functional theory
Giulia Galli, David Prendergast
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Tuesday, March 14, 2006
3:54PM - 4:06PM
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K31.00006: A First-principles Investigation of Superprotonic Activity in CsHSO$_4$
Brandon Wood, Nicola Marzari
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Tuesday, March 14, 2006
4:06PM - 4:18PM
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K31.00007: First-principles study of the Hume-Rothery electron concentration rule in Al-Cu-(Fe,Ru)-Si 1/1-cubic approximants
Ryoji Asahi, O.Y. Kontsevoi, U. Mizutani, T. Takeuchi, A.J. Freeman
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Tuesday, March 14, 2006
4:18PM - 4:30PM
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K31.00008: High-precision mixed-space cluster expansion for Cu-rich Cu-Pd alloys: Explaining the "$L1_2" phase
S. B\"arthlein, S. M\"uller, G.L.W. Hart, A. Zunger
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Tuesday, March 14, 2006
4:30PM - 4:42PM
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K31.00009: Nanoscale Patterning of L1$_{2}$ Chemical Order in Ni$_{3}$Al Alloy Processed by Energetic Ions
Jia Ye, Youhong Li, Robert Averback, Pascal Bellon, Jianmin Zuo
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Tuesday, March 14, 2006
4:42PM - 4:54PM
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K31.00010: Maximally fast coarsening algorithms
Mowei Cheng, Andrew Rutenberg
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Tuesday, March 14, 2006
4:54PM - 5:06PM
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K31.00011: Mesoscopic modeling of the response of human dental enamel to mid-infrared radiation
Ana Vila Verde, Marta Ramos, A.M. Stoneham
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Tuesday, March 14, 2006
5:06PM - 5:18PM
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K31.00012: The isotope effect in the ferroelectric phase transition of KDP using {\it ab-initio} path intergal simulations
Varadharajan Srinivasan, Roberto Car, Daniel Sebastiani
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