APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session R43: Computational Design and Discovery of Novel Materials III
Focus
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Sponsoring Units: DCOMP DMP
Chair: Cai-Zhuang Wang, Ames Laboratory
Room: 702
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R43.00001: Creating Novel Magnetic Compounds with Complementary Experimental and Computational Methods
Invited Speaker:
David Sellmyer
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R43.00002: A high throughput workflow for magnetic ferroelectrics from first-principles
Stephanie Mack, Tess E Smidt, Sinéad Griffin, Jeffrey B Neaton
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R43.00003: Generating a database of predicted ground-state magnetic orderings of inorganic crystalline materials suitable for high-throughput screening applications
Matthew Horton, Kristin Persson
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R43.00004: Machine-learning Assisted Prediction of Magnetic Double Perovskites
Tanusri Saha-Dasgupta, Anita Halder, Aishwaryo Ghosh
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R43.00005: First-principles design of solid-state hydrogen electrolytes
Invited Speaker:
Andrew Rowberg
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R43.00006: Atomistic Kinematics of Carbon Diffusion and Clustering in BCC Fe with Point Defects
Tien Quang Nguyen, Kazunori Sato, Yoji Shibutani
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R43.00007: First-principles Study of Large Seebeck Coefficients in Fe-doped Si-Ge Alloys
Ryo Yamada, Akira Masago, Tetsuya Fukushima, Hikari Shinya, Tien Quang Nguyen, Kazunori Sato
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R43.00008: Assessing Aqueous Stability of Nonequilibrium Nickel Chromium Oxides from First Principles
Kathleen Mullin, Michael Waters, James Rondinelli
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R43.00009: Influence of cation site disorder in ZnGeN2 on electronic properties
Jacob Cordell, Jie Pan, Celeste Melamed, Garritt Tucker, Adele Tamboli, Stephan Lany
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R43.00010: Perfect short-range ordered alloy with line-compound-like properties in the ZnSnN2:ZnO system
Stephan Lany, Jie Pan, Jacob Cordell, Garritt Tucker, Andriy Zakutayev, Adele Tamboli
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R43.00011: The design of disordered three-dimensional auxetic networks
Meng Shen, Marcos Reyes-Martinez, Edwin P Chan, Christopher Soles, Nidhi Pashine, Sidney Robert Nagel, Heinrich M. Jaeger, Juan De Pablo
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