Tuesday, March 5, 2019
11:15AM - 11:27AM
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F16.00001: Machine learned defect level predictor for semiconductors
Arun Kumar Mannodi Kanakkithodi, Duyen H Cao, Nari Jeon, Ji-Sang Park, Michael J Davis, Alex Martinson, Maria Chan
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Tuesday, March 5, 2019
11:27AM - 11:39AM
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F16.00002: Ternary semiconductors with tunable band gaps from machine-learning and crystal structure prediction
Maximilian Amsler, Christopher Wolverton, Logan Ward, Vinay I Hegde
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Tuesday, March 5, 2019
11:39AM - 11:51AM
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F16.00003: Polarization engineering with novel nitride heterostructures from first principles
Nicholas Adamski, Darshana Wickramaratne, Chris Van de Walle
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Tuesday, March 5, 2019
11:51AM - 12:03PM
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F16.00004: First-principles calculations of BAlGaN alloys nearly latticed matched to AlN for deep UV light emission
Logan Williams, Emmanouil Kioupakis
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Tuesday, March 5, 2019
12:03PM - 12:39PM
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F16.00005: First-principle study of phosphors for white-LED applications : Stokes shift, emission linewidth and thermal quenching.
Invited Speaker:
Xavier Gonze
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Tuesday, March 5, 2019
12:39PM - 12:51PM
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F16.00006: Dielectric Behavior as a Screen in Rational Searches for Overlooked Electronic Materials: Metal Pnictide Sulfosalts
Xin He, David Joseph Singh, Patsorn Boon-on, Ming-Way Lee, Lijun Zhang
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Tuesday, March 5, 2019
12:51PM - 1:03PM
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F16.00007: Sn(II)-containing phosphates as promising p-type optoelectronic semiconductors
Tianshu Li, Qiaoling Xu, Haowei Peng, David Singh, Lijun Zhang
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Tuesday, March 5, 2019
1:03PM - 1:15PM
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F16.00008: Computational design of new polymorphs of two-dimensional semiconductor InSe with enhanced interlayer interaction
Yuanhui Sun, Song-Lin Li, Koushik Biswas, Lijun Zhang
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Tuesday, March 5, 2019
1:15PM - 1:27PM
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F16.00009: A quantum-mechanical map for bonding and properties in materials
Jean-Yves Raty, Mathias Schumacher, Pavlo Golub, Volker L Deringer, Carlo Gatti, Matthias Wuttig
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Tuesday, March 5, 2019
1:27PM - 1:39PM
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F16.00010: Structural, electronic and thermoelectric properties of PbTe-based chalcogenide compounds
Abhiyan Pandit, Raad Haleoot, Bothina Hamad
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Tuesday, March 5, 2019
1:39PM - 1:51PM
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F16.00011: Intermediate-phase method for computing the natural band offset between two materials with dissimilar structures
HuiJun Gu
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