Monday, March 14, 2016
11:15AM - 11:51AM
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B22.00001: Hole localization, water dissociation mechanisms, and band alignment at aqueous-titania interfaces
Invited Speaker:
John L. Lyons
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Monday, March 14, 2016
11:51AM - 12:03PM
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B22.00002: Role of excited states in Shockley-Read-Hall recombination in wide band-gap semiconductors
Audrius Alkauskas, Cyrus E. Dreyer, John L. Lyons, Chris G. Van de Walle
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Monday, March 14, 2016
12:03PM - 12:15PM
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B22.00003: Auger recombination in InN from first principles
Andrew McAllister, Emmanouil Kioupakis
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Monday, March 14, 2016
12:15PM - 12:27PM
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B22.00004: Electronic coherence and the kinetics of energy transfer in light-harvesting systems
Pengfei Huo, David Coker, Thomas Miller
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Monday, March 14, 2016
12:27PM - 12:39PM
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B22.00005: The Optical Spectrum of LaAlO$_3$: Quasiparticle Energies and the Effect of Lattice Screening
Xiao Zhang, Andre Schleife
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Monday, March 14, 2016
12:39PM - 12:51PM
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B22.00006: Electronic and optical properties of Ga$_{\mathrm{2}}$O$_{\mathrm{3}}$ from first principles
Kelsey Mengle, Emmanouil Kioupakis
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Monday, March 14, 2016
12:51PM - 1:03PM
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B22.00007: Substrate Screening Induced Renormalization of Excited-States in 2D Materials
Neerav Kharche, Vincent Meunier
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Monday, March 14, 2016
1:03PM - 1:15PM
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B22.00008: Electronic structure, transport properties, and excited states in CoTiSb, CoZrSb, and CoHfSb half-Heusler compounds
Anderson Janotti, Zhigang Gui, Jason Kawasaki, Chris Palmstrom, Burak Himmetoglu
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Monday, March 14, 2016
1:15PM - 1:27PM
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B22.00009: Ab Initio Calculations of Excited Carrier Dynamics in Gallium Nitride
Vatsal Jhalani, Marco Bernardi
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Monday, March 14, 2016
1:27PM - 1:39PM
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B22.00010: Time Evolution of Charge Carriers & Phonons after Photo-Excitation by an Ultra-Short Light Pulse in Bulk Germanium
Stephen Fahy, Felipe Murphy-Armando, Mariano Trigo, Ivana Savic, Eamonn Murray, David Reis
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Monday, March 14, 2016
1:39PM - 1:51PM
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B22.00011: Constrained Density Functional Theory by Imaginary Time-Step Method
Daniel Kidd
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Monday, March 14, 2016
1:51PM - 2:03PM
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B22.00012: Density functional study on a light-harvesting carotenoid-porphyrin-C$_{\mathrm{60}}$ molecular triad in explicit solvent
Carlos Diaz, Tunna Baruah, Rajendra Zope
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Monday, March 14, 2016
2:03PM - 2:15PM
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B22.00013: Ab-Initio Computations of Electronic and Related Properties of cubic Lithium Selenide (Li$_{2}$Se)
Abdoulaye Goita, Ifeanyi H. Nwigboji, Yuriy Malozovsky, Diola Bagayoko
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