Monday, February 27, 2012
11:15AM - 11:27AM
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B7.00001: The Harvard Clean Energy Project: High-throughput screening of organic photovoltaic materials using first-principles electronic structure theory
Johannes Hachmann
, Roberto Olivares-Amaya
, Sule Atahan-Evrenk
, Carlos Amador-Bedolla
, Alan Aspuru-Guzik
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Monday, February 27, 2012
11:27AM - 11:39AM
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B7.00002: The Harvard Clean Energy Project: High-throughput screening of organic photovoltaic materials using cheminformatics, machine learning, and pattern recognition
Roberto Olivares-Amaya
, Johannes Hachmann
, Carlos Amador-Bedolla
, Aidan Daly
, Adrian Jinich
, Sule Atahan-Evrenk
, Sergio Boixo
, Al\'an Aspuru-Guzik
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Monday, February 27, 2012
11:39AM - 11:51AM
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B7.00003: Thermodynamic Stability of Semiconductors for Photocatalytic Water Splitting
Shiyou Chen
, Lin-Wang Wang
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Monday, February 27, 2012
11:51AM - 12:03PM
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B7.00004: Rational design of competitive electrocatalysts for the oxygen reduction reaction in hydrogen fuel cells
Sergey Stolbov
, Marisol Alc\'antara Ortigoza
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Monday, February 27, 2012
12:03PM - 12:15PM
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B7.00005: First principles design of the Pd/Co/Pd sandwich-like structure as a promising electrocatalyst for the oxygen reduction reaction on hydrogen fuel cell cathode
Sebastian Zuluaga
, Sergey Stolbov
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Monday, February 27, 2012
12:15PM - 12:27PM
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B7.00006: Computational Design of Co-Doping Method for Indium-Reduced Chalcopyrite-Type Photovoltaic Materials
Kazunori Sato
, Yoshimasa Tani
, Hiroshi Katayama-Yoshida
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Monday, February 27, 2012
12:27PM - 12:39PM
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B7.00007: Effect of carbon and nitrogen doping on the structure of amorphous GeTe phase change material
Jean-Yves Raty
, Giada Ghezzi
, Sylvain Maitrejean
, Pierre No\'e
, Anne Roule
, Christophe Bichara
, Fran\c{c}oise Hippert
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Monday, February 27, 2012
12:39PM - 12:51PM
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B7.00008: Towards Efficient Solar Cells: Optimizing Non-Equilibrium Hyperdoping Methods
Tobias M. Schneider
, Michael P. Brenner
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Monday, February 27, 2012
12:51PM - 1:03PM
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B7.00009: First-Principles Materials Design of Chalcopyrite-Type Photovoltaic Materials with Self-Organized Nano-Structures
Yoshimasa Tani
, Kazunori Sato
, Hiroshi Katayama-Yoshida
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Monday, February 27, 2012
1:03PM - 1:15PM
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B7.00010: Computational Nano-materials Design of Self-Organized Cd(Te,S) and Cd(Te,Se)Type II Nanowire (Konbu-Phase) by Spinodal Nano-Decomposition for High-Efficiency Photovoltaic Solar-Cells
Hiroshi Katayama-Yoshida
, Masamune Oshitani
, Kazunori Sato
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Monday, February 27, 2012
1:15PM - 1:27PM
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B7.00011: Half-Heusler semiconductors as piezoelectrics
Anindya Roy
, Joseph W. Bennett
, Karin M. Rabe
, David Vanderbilt
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Monday, February 27, 2012
1:27PM - 1:39PM
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B7.00012: Oxygen transport in ceria: a first-principles study
Simak Sergei
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Monday, February 27, 2012
1:39PM - 1:51PM
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B7.00013: First Principles Optical Absorption Spectra of Organic Molecules Adsorbed on Titania Nanoparticles
Kopinjol Baishya
, Serdar Ogut
, Ersen Mete
, Oguz Gulseren
, Sinasi Ellialtioglu
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Monday, February 27, 2012
1:51PM - 2:03PM
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B7.00014: Stoichiometric anti-phase boundaries in monolayer boron-nitride
Simone S. Alexandre
, Lidia C. Gomes
, Helio Chacham
, Ricardo W. Nunes
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Monday, February 27, 2012
2:03PM - 2:15PM
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B7.00015: Understanding Heat Dissipation in Carbon Nanotube Resonators: New Insights from Molecular Dynamics Simulation
Rajamani Raghunathan
, P. Alex Greaney
, Jeffrey C. Grossman
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