Wednesday, March 16, 2016
2:30PM - 3:06PM
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P23.00001: Computational design of inorganic-organic hybrid materials energy storage and conversion
Invited Speaker:
Alexie Kolpak
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Wednesday, March 16, 2016
3:06PM - 3:18PM
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P23.00002: Theoretical and Experimental Studies of Designed Molecular Interfaces for Improved Thermal Conductivity
Alex Kerr, Kieran Mullen, Daniel Glatzhofer, Matthew Houck, Paul Huang
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Wednesday, March 16, 2016
3:18PM - 3:30PM
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P23.00003: Modifying the Optoelectronic Properties of Rubrene by Strain
Sahar Sharifzadeh, Ashwin Ramasubramaniam
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Wednesday, March 16, 2016
3:30PM - 3:42PM
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P23.00004: First-principles studies of the electric-field effect on the band structure of trilayer graphenes
Yun-Peng Wang, Xiang-Guo Li, Hai-Ping Cheng
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Wednesday, March 16, 2016
3:42PM - 3:54PM
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P23.00005: Design of transparent conductors and periodic two-dimensional electron gases without doping
Xiuwen Zhang, Lijun Zhang, Alex Zunger, John Perkins
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Wednesday, March 16, 2016
3:54PM - 4:06PM
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P23.00006: Role of sp$^3$ Defect in Ordered Nanoporous Carbon
Enshi Xu, Angela Lueking, Vincent Crespi, Paul Lammert, Kathleen Maleski
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Wednesday, March 16, 2016
4:06PM - 4:18PM
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P23.00007: Computational Discovery of a Novel Semiconductor: A Vacancy-Ordered Fe$_{\mathbf{1.5}}$TiSb Heusler Phase
Vinay Ishwar Hegde, Nariman Naghibolashrafi, Sahar Keshavarz, Kamaram Munira, William Butler, Patrick LeClair, Chris Wolverton
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Wednesday, March 16, 2016
4:18PM - 4:30PM
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P23.00008: Doping and defects by design: Ga2O3
Stephan Lany
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Wednesday, March 16, 2016
4:30PM - 4:42PM
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P23.00009: Understanding the Impact of Point Defects on the Optoelectronic Properties of Gallium Nitride from First-Principles
Kirk Lewis, Masahiko Matsubara, Enrico Bellotti, Sahar Sharifzadeh
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Wednesday, March 16, 2016
4:42PM - 4:54PM
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P23.00010: Prediction of direct band gap silicon superlattices with dipole-allowed optical transition
Sunghyun Kim, Young Jun Oh, In-Ho Lee, Jooyoung Lee, K. J. Chang
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Wednesday, March 16, 2016
4:54PM - 5:06PM
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P23.00011: From facets to facets: how does work function vary over a gold nanocluster?
Lingyuan Gao, Jaime Souto, James Chelikowsky, Alex Demkov
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Wednesday, March 16, 2016
5:06PM - 5:18PM
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P23.00012: Gap engineering using Hellmann-Feynmann forces: method and applications
Kiran Prasai, Parthapratim Biawas, D. A. Drabold
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Wednesday, March 16, 2016
5:18PM - 5:30PM
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P23.00013: Bayesian cluster expansion with lattice parameter dependence for studying surface alloys
Le Niu, Tim Mueller
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