Monday, March 4, 2024
8:00AM - 8:36AM
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A60.00001: High-Entropy Oxides: Multifunctionality Enabled through Chemical Disorder
Invited Speaker:
Susan B Sinnott
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Monday, March 4, 2024
8:36AM - 8:48AM
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A60.00002: High-entropy alloy and intermetallic design by Super-Cell Random Approximates (SCRAPs)
Dhruv Raturi, Prashant Singh, Kirill Kovnir, Duane D. Johnson
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Monday, March 4, 2024
8:48AM - 9:00AM
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A60.00003: Mixed Enthalpy-Entropy Descriptor Guided Discovery of 2D High-Entropy Chalcogenides for Energy Applications
Dibyendu Dey, Nuzhat Maisha, Biswajit Ball, Liangbo Liang, Michael J Zachman, Yingchao Yang, Liping Yu
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Monday, March 4, 2024
9:00AM - 9:12AM
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A60.00004: Discovery of new clathrates by computational screening, and directed synthesis
Davide Donadio, Franklin T Cerasoli, Kirill Kovnir
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Monday, March 4, 2024
9:12AM - 9:24AM
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A60.00005: Martensitic Phase Transitions in Complex NiTi-Based Shape Memory Alloys from First-Principles Calculations
Zhigang Wu, Othmane Benafan, John W Lawson, Hessam Malmir
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Monday, March 4, 2024
9:24AM - 9:36AM
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A60.00006: Redox properties of transition metal oxides NiO2 and CoO2 from a defect perspective
Raj K Sah, Michael J Zdilla, Eric U Borguet, John P. P Perdew
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Monday, March 4, 2024
9:36AM - 10:12AM
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A60.00007: Machine learning based computational methods to analyze structural characterization in soft materials
Invited Speaker:
Arthi Jayaraman
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Monday, March 4, 2024
10:12AM - 10:24AM
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A60.00008: High-throughput virtual screening for high thermal conductivity polymer crystals using first-principles calculation
Rohit Dahule, Kenji Oqmhula, Ryo Maezono, Kenta Hongo
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Monday, March 4, 2024
10:24AM - 10:36AM
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A60.00009: Abstract Withdrawn
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Monday, March 4, 2024
10:36AM - 10:48AM
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A60.00010: Reproducible workflows for verification and optimization of solid-state pseudopotentials
Jusong Yu, Nicola Marzari, Giovanni Pizzi
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Monday, March 4, 2024
10:48AM - 11:00AM
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A60.00011: Thermodynamic and Electronic Properties of Semiconducting High-Entropy Halide Perovskites Materials through First-Principles Calculations
Zekun Wu, Yuxuan Wang, Emmanouil Kioupakis
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