Computational Design and Discovery of Novel Materials VI
ORAL · N47 · ID: 46290
Presentations
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Multiferroic Properties of Polar Metallocenes
ORAL
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Presenters
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R. E Cohen
Carnegie Inst of Washington, EPL, Carnegie Institution for Science, Carnegie Institution for Science
Authors
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R. E Cohen
Carnegie Inst of Washington, EPL, Carnegie Institution for Science, Carnegie Institution for Science
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Functional ABC intermetallics from first principles
ORAL
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Presenters
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Konrad T Genser
Rutgers, Rutgers University
Authors
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Konrad T Genser
Rutgers, Rutgers University
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Karin M Rabe
Rutgers University, New Brunswick, Rutgers University
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Novel Chiral Materials for Optoelectronic and Spintronic applications.
ORAL
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Presenters
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Zachary L Romestan
West Virginia University
Authors
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Zachary L Romestan
West Virginia University
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He Xu
Catalan Institute of Nanoscience and Nanotechnology
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Emma McCabe
Department of Physics, Durham University
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Eric Bousquet
Physique Théorique des Matériaux, Université de Liége, University of Liege, ULiege
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Aldo H Romero
West Virginia University
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Understanding Atomic Site Disorder in Complex Materials
ORAL
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Publication: N/A
Presenters
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Ridwan Nahar
Department of Physics and Astronomy, University of Alabama
Authors
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Ridwan Nahar
Department of Physics and Astronomy, University of Alabama
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Ridwan Nahar
Department of Physics and Astronomy, University of Alabama
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Sujan Budhathoki
Department of Physics and Astronomy, University of Alabama
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Ka Ming Law
Department of Physics and Astronomy, University of Alabama
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Casey Temple
Department of Physics and Astronomy, University of Alabama
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Derek Davis
Department of Physics and Astronomy, University of Alabama
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Robert Browning
Department of Physics and Astronomy, University of Alabama
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Peter Powell
Department of Physics and Astronomy, University of Alabama
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Gabriel Feng
Department of Physics and Astronomy, University of Alabama
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Sahuj Mehta
Department of Physics and Astronomy, University of Alabama
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Christian Darr
Department of Physics and Astronomy, University of Alabama
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Adam Hauser
Department of Physics and Astronomy, University of Alabama
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A chemical understanding of the anomalously large bandgap of alpha-PbO
ORAL
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Presenters
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Emily Oliphant
University of Michigan
Authors
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Emily Oliphant
University of Michigan
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Wenhao Sun
University of Michigan
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Emmanouil Kioupakis
University of Michigan
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Crystal Features Controlling Oxygen Vacancy Formation in ABO<sub>3</sub> Perovskites
ORAL
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Publication: https://doi.org/10.1021/jacs.1c05570
Presenters
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Robert B Wexler
Princeton University
Authors
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Robert B Wexler
Princeton University
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Gopalakrishnan S Gautam
Indian Institute of Science
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Ellen B Stechel
Arizona State University
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Emily A Carter
University of California, Los Angeles
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Active learning and element embedding approach in neural networks for infinite-layer versus perovskite oxides
ORAL
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Publication: [1] D. Li et al., Nature 572, 624 (2019)<br>[2] A. Sahinovic and B. Geisler, arXiv:2104.02529 [cond-mat.supr-con] (2021), Phys. Rev. Research, in print
Presenters
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Benjamin Geisler
University of Duisburg-Essen
Authors
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Benjamin Geisler
University of Duisburg-Essen
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Armin Sahinovic
University of Duisburg-Essen
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Rediscovering Cr<sub>2</sub>S<sub>3</sub> as Half-semiconducting Antiferromagnet
ORAL
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Publication: This work is planned to submit to PRB.
Presenters
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Minwoong Joe
Sungkyunkwan Univ
Authors
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Minwoong Joe
Sungkyunkwan Univ
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Yisehak Gebredingle
Sungkyunkwan Univ
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Changgu Lee
Sungkyunkwan Univ
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Theoretical Investigation on the Effect of Transition-Metal Doping on Seebeck Coefficient of SiGe Alloy
ORAL
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Publication: [1] Delime-Codrin K. et al., Appl. Phys. Express 12, 045507, 2019<br>[2] Yamada R. et al., Solid State Commun. 323, 114115, 2021
Presenters
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Tien Quang Nguyen
Osaka University, Division of Materials and Manufacturing Science, Osaka University
Authors
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Tien Quang Nguyen
Osaka University, Division of Materials and Manufacturing Science, Osaka University
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Ngoc Nam Ho
Osaka University, Division of Materials and Manufacturing Science, Osaka University
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Katsuhiro Suzuki
Osaka Univ., Osaka University, Division of Materials and Manufacturing Science, Osaka University
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Akira Masago
Osaka University, Center for Spintronics Research Network, Osaka University
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Hikari Shinya
Tohoku University, Research Institute of Electrical Communication, Tohoku University
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Tetsuya Fukushima
The University of Tokyo, Institute of Solid State Physics, The University of Tokyo
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Kazunori Sato
Osaka Univ., Osaka University, Division of Materials and Manufacturing Science, Osaka University, Osaka University, CSRN-Osaka
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Prediction of nontrivial band topology and superconductivity in metallic Si allotropes stable at ambient pressure
ORAL
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Publication: Yoon-Gu Kang, In-Ho Lee, Myung Joon Han, and Kee Joo Chang, Phys. Rev. Materials 5, 104802 (2021).
Presenters
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Yoon-Gu Kang
Korea Adv Inst of Sci & Tech
Authors
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Yoon-Gu Kang
Korea Adv Inst of Sci & Tech
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In-Ho Lee
Korea Research Institute of Standards and Science
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Myung Joon Han
KAIST
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Kee Joo Chang
Korea Adv Inst of Sci & Tech
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