Wednesday, March 15, 2017
2:30PM - 3:06PM
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P26.00001: Identification of nonradiative recombination centers in GaN
Invited Speaker:
Darshana Wickramaratne
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Wednesday, March 15, 2017
3:06PM - 3:18PM
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P26.00002: Electronic properties of ultra-wide-band-gap nitride alloys from first principles
Jimmy-Xuan Shen, Darshana Wickramaratne, Chris Van de Walle
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Wednesday, March 15, 2017
3:18PM - 3:30PM
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P26.00003: Acoustic-optical phonon branch crossings and lattice thermal transport in La$_3$Cu$_3$X$_4$ (X = P, As, Sb, and Bi) systems
Tribhuwan Pandey, Carlos A. Polanco, Lucas Lindsay, David S. Parker
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Wednesday, March 15, 2017
3:30PM - 3:42PM
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P26.00004: Polymorphism in transition metal compounds: An LDA+Rotationally-invariant slave-boson study
Tsung-Han Lee, Nicola Lanata, Yongxin Yao, Vladan Stevanovic, Vladimir Dobrosavljevic
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Wednesday, March 15, 2017
3:42PM - 3:54PM
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P26.00005: Band unfolding scheme for one-dimensional semiconductor nanowires
Sunghyun Kim, Kee Joo Chang
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Wednesday, March 15, 2017
3:54PM - 4:06PM
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P26.00006: From tetrahedral networks to (meta-) stable ice structures: a theoretical study
Edgar Engel, Chris Pickard, Richard Needs, Michele Ceriotti, Andrea Anelli
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Wednesday, March 15, 2017
4:06PM - 4:18PM
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P26.00007: Crystal structure prediction supported with diffraction data
Naoto Tsujimoto, Daiki Adachi, Synge Todo, Ryosuke Akashi, Shinji Tsuneyuki
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Wednesday, March 15, 2017
4:18PM - 4:30PM
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P26.00008: The Thermodynamic Scale of Inorganic Crystalline Metastability
Wenhao Sun, Stephen Dacek, Shyue Ping Ong, Geoffroy Hautier, Anubhav Jain, William Richards, Anthony Gamst, Kristin Persson, Gerbrand Ceder
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Wednesday, March 15, 2017
4:30PM - 4:42PM
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P26.00009: Role of Features in the Adaptive Design of Materials
Prasanna V. Balachandran, Turab Lookman
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Wednesday, March 15, 2017
4:42PM - 4:54PM
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P26.00010: Thermomechanical properties in the AFLOW distributed database
Cormac Toher, Corey Oses, Jose J. Plata, David Hicks, Frisco Rose, Ohad Levy, Maarten de Jong, Mark Asta, Olexandr Isayev, Alexander Tropsha, Marco Fornari, Marco Buongiorno Nardelli, Stefano Curtarolo
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Wednesday, March 15, 2017
4:54PM - 5:06PM
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P26.00011: Ab initio structure prediction of silicon and germanium sulfides for lithium-ion battery materials
Connie Hsueh, Martin Mayo, Andrew J. Morris
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Wednesday, March 15, 2017
5:06PM - 5:18PM
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P26.00012: Electrostatic screening in supercell calculations of formation energies of charged-defects
Yuning Wu, Sokrates Pantelides, Xiaoguang Zhang
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