Tuesday, March 16, 2021
3:00PM - 3:36PM
Live
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J56.00001: Computational discovery of ultra-wide-band-gap semiconductors
Invited Speaker:
Emmanouil Kioupakis
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Tuesday, March 16, 2021
3:36PM - 3:48PM
Live
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J56.00002: Ab initio thermodynamics of transition metal oxides for thermochemical energy storage.
Suzanne Wallace, Ambroise van Roekeghem, Anton Bochkarev, Javier Carrasco, Alexander Shapeev, Natalio Mingo
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Tuesday, March 16, 2021
3:48PM - 4:00PM
Live
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J56.00003: Rational design of bismuth-based oxide double-perovskite semiconductors with large band-gap tunability
Arashdeep Thind, Charlie Loitman, ZHAOHAN ZHANG, Steven Hartman, Ghanshyam Pilania, Rohan Mishra
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Tuesday, March 16, 2021
4:00PM - 4:12PM
Live
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J56.00004: Prospects for High Carrier Mobility in the Cubic Germanates
Andrew Rowberg, Karthik Krishnaswamy, Chris Van de Walle
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Tuesday, March 16, 2021
4:12PM - 4:24PM
Live
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J56.00005: Prediction of New Ferroelectric Clathrate and Polar Oxynitrides
Ronald Cohen, Li Zhu, Hiroyuki Takenaka, Timothy A Strobel
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Tuesday, March 16, 2021
4:24PM - 4:36PM
Live
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J56.00006: Accelerated search for novel ferroelectric materials
Ramon Frey, Aria Mansouri, Bastien Grosso, Nicola A. Spaldin
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Tuesday, March 16, 2021
4:36PM - 4:48PM
Live
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J56.00007: A MoON Race: Computational Design of a Heteroanionic Metal-Insulator Transition Compound Molybdenum Oxynitride
Lauren Walters, Nathan J Szymanski, Danilo Puggioni, James M Rondinelli
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Tuesday, March 16, 2021
4:48PM - 5:00PM
Live
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J56.00008: Quantifying the stability of the anion ordering in SrVO2H
Masayuki Ochi, Kazuhiko Kuroki
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Tuesday, March 16, 2021
5:00PM - 5:12PM
Live
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J56.00009: Conductivity, elastic moduli and phase transitions in the Li10GeP2O12 solid-state electrolyte from first-principles molecular dynamics
Giuliana Materzanini, Leonid Kahle, Aris Marcolongo, Nicola Marzari
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Tuesday, March 16, 2021
5:12PM - 5:24PM
Live
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J56.00010: Insight into the energetics and properties of oxyfluorides through anion ordering
Richard Saballos, James M Rondinelli
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Tuesday, March 16, 2021
5:24PM - 5:36PM
Live
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J56.00011: The linear electro-optical effect in thin oxide films
Alexander Demkov, Ali Hamze, Wente Li, Therese Paoletta, Kurt Fredrickson
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