Wednesday, March 15, 2017
2:30PM - 3:06PM
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P7.00001: Implementation of highly parallel and large scale GW calculations within the OpenAtom software
Invited Speaker:
Sohrab Ismail-Beigi
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Wednesday, March 15, 2017
3:06PM - 3:18PM
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P7.00002: Band alignment at solid-liquid interfaces from GW theory combined with continuum solvation models
Johannes Lischner, Lars Blumenthal, Matthias Kahk, Paul Tangney
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Wednesday, March 15, 2017
3:18PM - 3:30PM
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P7.00003: First-principle study of phosphors for white-LED applications : absorption and emission energies for Ce- and Eu-doped hosts.
Xavier Gonze, Yongchao Jia, Anna Miglio, Matteo Giantomassi, Samuel Ponce, Masayoshi Mikami
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Wednesday, March 15, 2017
3:30PM - 3:42PM
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P7.00004: Carrier-Induced Transient Defect Formation and Nonradiative Recombination in InGaN Light-Emitting Devices: A First-Principles Study
Junhyeok Bang, Yiyang Sun, J.-H. Song, S. B. Zhang
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Wednesday, March 15, 2017
3:42PM - 3:54PM
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P7.00005: Optical response of semiconductors in a dc-electric field
Lucie Prussel, Valerie Veniard
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Wednesday, March 15, 2017
3:54PM - 4:06PM
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P7.00006: Real-Space Analysis of the Optical Absorption in Alternative Phases of Silicon
Chin Shen Ong, Sinisa Coh, Marvin L. Cohen, Steven G. Louie
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Wednesday, March 15, 2017
4:06PM - 4:18PM
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P7.00007: Near-edge optical properties of $\beta $-Ga$_{\mathrm{2}}$O$_{\mathrm{3}}$ determined through first-principles calculations
Kelsey Mengle, Guangsha Shi, Dylan Bayerl, Emmanouil Kioupakis
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Wednesday, March 15, 2017
4:18PM - 4:30PM
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P7.00008: Schottky junctions studied using Korringa--Kohn–-Rostoker nonequilibrium Green’s function method
Hisazumi Akai, Masako Ogura
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Wednesday, March 15, 2017
4:30PM - 4:42PM
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P7.00009: Electronic correlations in FeSb$_2$: a QSGW+DMFT investigation
Walber Hugo De Brito, Sangkook Choi, Gabriel Kotliar
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Wednesday, March 15, 2017
4:42PM - 4:54PM
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P7.00010: Quasi-particle self-consistent GW calculation of the band structure of $\beta$-Ga$_2$O$_3$
Amol Ratnaparkhe, Walter Lambrecht
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Wednesday, March 15, 2017
4:54PM - 5:06PM
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P7.00011: Surfaces and interfaces of topological insulators from relativistic many-body calculations
Irene Aguilera, Christoph Friedrich, Stefan Blugel
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Wednesday, March 15, 2017
5:06PM - 5:18PM
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P7.00012: A new DFT approach to model small polarons in oxides with proper account for long-range polarization
Sebastian Kokott, Sergey V. Levchenko, Matthias Scheffler
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Wednesday, March 15, 2017
5:18PM - 5:30PM
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P7.00013: GW Calculations of Bulk and Few-layer SnO
Yabei Wu, Weiwei Gao, Weiyi Xia, Wei Ren, Peihong Zhang
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