Tuesday, March 22, 2011
11:15AM - 11:51AM
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J28.00001: Distributed Strategies for Materials Development
Invited Speaker:
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Tuesday, March 22, 2011
11:51AM - 12:03PM
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J28.00002: A database survey to search for new candidate {\em p}-type TCOs
Giancarlo Trimarchi, K. Poeppelmeier, A. J. Freeman
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Tuesday, March 22, 2011
12:03PM - 12:15PM
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J28.00003: Ab-Initio Prediction of Phase Diagrams Using a Genetic Algorithm
Will Tipton, Richard Hennig
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Tuesday, March 22, 2011
12:15PM - 12:27PM
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J28.00004: The Harvard Clean Energy Project. Large-scale computational screening and design of molecular motifs for organic photovoltaics on the World Community Grid
Johannes Hachmann, Roberto Olivares-Amaya, Sule Atahan-Evrenk, Carlos Amador-Bedolla, Alan Aspuru-Guzik
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Tuesday, March 22, 2011
12:27PM - 1:03PM
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J28.00005: Computational design of new A2BX4 materials
Invited Speaker:
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Tuesday, March 22, 2011
1:03PM - 1:15PM
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J28.00006: Discovering potentially overlooked Filled Tetrahedral Structure compounds by high-throughput first-principles calculation
Xiuwen Zhang, Alex Zunger
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Tuesday, March 22, 2011
1:15PM - 1:27PM
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J28.00007: GW band gap of Filled Tetrahedral Structuctures: absorbers and topological insulators ?
Julien Vidal, Xiuwen Zhang, Jun-Wei Luo, Alex Zunger
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Tuesday, March 22, 2011
1:27PM - 1:39PM
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J28.00008: Quantum Monte Carlo for Materials Design
Tim Mueller, Lucas Wagner, Jeffrey Grossman
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Tuesday, March 22, 2011
1:39PM - 1:51PM
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J28.00009: Off-lattice self-learning kinetic Monte Carlo: application to 3D island decay on fcc(100) surface
Giridhar Nandipati, Abdelkader Kara, Syed Islamuddin Shah, Talat S. Rahman
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Tuesday, March 22, 2011
1:51PM - 2:03PM
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J28.00010: Density-functional study of U-Mo alloys
Alexander Landa, Per Soderlind, Patrice E.A. Turchi
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Tuesday, March 22, 2011
2:03PM - 2:15PM
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J28.00011: Inverse band design of SiGe superlattices with direct band-gaps
Mayeul d'Avezac, Jun-Wei Luo, Alex Zunger, Thomas Chanier
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