Thursday, March 7, 2019
2:30PM - 3:06PM
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V19.00001: Polymer Genome: An Informatics Platform for Rational Polymer Dielectrics Design and Beyond
Invited Speaker:
Ramamurthy Ramprasad
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Thursday, March 7, 2019
3:06PM - 3:18PM
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V19.00002: High-throughput computational design of electrode-electrolyte interface for solid-state Li-ion batteries
Chuhong Wang, Tim Mueller
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Thursday, March 7, 2019
3:18PM - 3:30PM
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V19.00003: New Olivine-Based Cathode Materials
Hong Fang, Purusottam Jena
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Thursday, March 7, 2019
3:30PM - 3:42PM
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V19.00004: High-throughput workflow for discovery of multiferroic materials based on ab initio calculations
Stephanie Mack, Sinead Magella Griffin, Tess Smidt, Jeffrey B Neaton
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Thursday, March 7, 2019
3:42PM - 3:54PM
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V19.00005: High-throughput analysis of large heterogeneous and dynamic data spaces with signac
Carl Simon Adorf, Vyas Ramasubramani, Bradley Dice, Sharon Glotzer
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Thursday, March 7, 2019
3:54PM - 4:06PM
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V19.00006: High-throughput First-principles Screening of the Layered Magnetic Double-Perovskites Cs4MSb2X12
Tao Zhang, Dan Han, DeYan Sun, Shiyou Chen
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Thursday, March 7, 2019
4:06PM - 4:18PM
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V19.00007: High-throughput Computational Search for Ternary Oxypnictide Mixed Anion Materials
Jiahong Shen, Vinay I Hegde, Jiangang He, Christopher Wolverton
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Thursday, March 7, 2019
4:18PM - 4:30PM
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V19.00008: Computational Exploration of Stable Heteroanionic Compounds ABOX (A and B are metal; X=S, Se, and Te)
Jiangang He, Vinay I Hegde, Zhenpeng Yao, S. Shahab Naghavi, Kyle Bushick, Christopher Wolverton
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Thursday, March 7, 2019
4:30PM - 4:42PM
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V19.00009: AFLOW-XTAL-MATCH: Automated method for quantifying the structural similarity of materials and identifying unique crystal prototypes
David Hicks, Cormac Toher, Denise Ford, Carlo De Santo, Ohad Levy, Michael Mehl, Stefano Curtarolo
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Thursday, March 7, 2019
4:42PM - 4:54PM
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V19.00010: AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis
Corey Oses, Eric M Gossett, David Hicks, Frisco Rose, Michael Mehl, Eric Perim, Ichiro Takeuchi, Stefano Sanvito, Matthias Scheffler, Yoav Lederer, Ohad Levy, Cormac Toher, Stefano Curtarolo
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Thursday, March 7, 2019
4:54PM - 5:06PM
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V19.00011: Novel functionalities in chemically-modified quasi-2D clay minerals.
Priya Gopal, Marta Gusmao, Ilaria Siloi, Stefano Curtarolo, Marco Fornari, Marco Buongiorno Nardelli
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Thursday, March 7, 2019
5:06PM - 5:18PM
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V19.00012: A Map of the Inorganic Ternary Metal Nitrides
Wenhao Sun, Christopher Bartel, Elisabetta Arca, Sage Bauers, Bethany E Matthews, Bernardo Orvananos, Bor-Rong Chen, Michael F Toney, Laura Schelhas, Bill Tumas, Janet Tate, Andriy Zakutayev, Aaron M Holder, Gerbrand Ceder
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