Thursday, March 7, 2019
8:00AM - 8:36AM
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R19.00001: Computational design of (electro-)catalysts
Invited Speaker:
Andrew Peterson
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Thursday, March 7, 2019
8:36AM - 8:48AM
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R19.00002: Two-Dimensional Phases of Robust CO2 Reduction Photocatalysts
Steven Torrisi, Arunima Singh, Joseph Montoya, Kristin Persson
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Thursday, March 7, 2019
8:48AM - 9:00AM
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R19.00003: Computational Dissection of Two-Dimensional Rectangular Titanium Mononitride TiN: Auxetics and Promises for Photocatalysis
Liujiang Zhou, Sergei Tretiak
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Thursday, March 7, 2019
9:00AM - 9:12AM
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R19.00004: Exploring PtXnY(2-n) (X, Y= S, Se and Te ; 0≤n≤2) monolayers: Is Janus PtXY the most favorable one?
Fatih Ersan, Can Ataca
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Thursday, March 7, 2019
9:12AM - 9:24AM
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R19.00005: Computational design of bimetallic core-shell nanoparticles for hot-carrier photocatalysis
Luigi Ranno, Stefano Dal Forno, Johannes Lischner
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Thursday, March 7, 2019
9:24AM - 9:36AM
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R19.00006: Electronic and optical properties of 3d-4d double perovskite Sr2VNbO6: a first-principles DFT+DMFT study
Arpita Paul, Turan Birol
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Thursday, March 7, 2019
9:36AM - 9:48AM
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R19.00007: Combined DFT & STM Study of Fe/Ir(111) Surface States
Stephen Gant, Jacob Repicky, Roland Kawakami, Jay A Gupta
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Thursday, March 7, 2019
9:48AM - 10:00AM
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R19.00008: First-Principles Study of Magnetism in Bilayer Manganese Phthalocyanine
Haechan Park, Hai-Ping Cheng, James Nathan Fry, Shuanglong Liu, Yun-Peng Wang
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Thursday, March 7, 2019
10:00AM - 10:12AM
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R19.00009: Contrasting Ferromagnetism in FeS2 Pyrites Induced by Cobalt Doping and by Electrostatic Gating
Ezra Day-Roberts, Rafael M Fernandes, Turan Birol
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Thursday, March 7, 2019
10:12AM - 10:24AM
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R19.00010: Ab initio Informed Tight Binding Theory of Axis-dependent Conduction Polarity in Goniopolar Materials
Yaxian Wang, Joseph P C Heremans, Joshua E. Goldberger, Wolfgang Windl
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Thursday, March 7, 2019
10:24AM - 10:36AM
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R19.00011: Effects of Si Doping on the Electronic Structure and Conductivity of Pure and Off-Stoichiometric Ge2Sb2Te5 Cystrals: First-Principles Investigation
Rajarshi Sinha-Roy, Antonin Louiset, Magali Benoit, Lionel Calmels
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Thursday, March 7, 2019
10:36AM - 10:48AM
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R19.00012: Electrical Conductivity of Graphene-Polymer Composite Foam
Zilu Wang, Adamson H Douglas, Andrey Dobrynin
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Thursday, March 7, 2019
10:48AM - 11:00AM
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R19.00013: Density matrix renormalization group study of Hubbard ladders
Yilin Zhao, Ling Wang, Gayanath Fernando
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