Monday, March 20, 2023
3:00PM - 3:12PM
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JJ10.00001: Accelerated Structure Prediction of Organic Molecular Crystals
Ethan P Shapera, Dejan-Krešimir Bucar, Rohit Prasankumar, Christoph Heil
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Monday, March 20, 2023
3:12PM - 3:24PM
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JJ10.00002: Asymmetric Transmission Control in Layered Natural Hyperbolic Crystals
Reed Jones, Rair Macêdo, Robert E Camley
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Monday, March 20, 2023
3:24PM - 3:36PM
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JJ10.00003: Manipulating interlayer magnetic orders of 2D magnets by stacking rotation
Liangbo Liang, Xiangru Kong, Hongkee Yoon, Myung Joon Han
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Monday, March 20, 2023
3:36PM - 3:48PM
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JJ10.00004: Interlayer Spin Transport in 2D Material Heterostructures with Arbitrary Epitaxies: A Computational Design from Bulk Properties
Adam M Pfeifle, Marcelo A Kuroda
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Monday, March 20, 2023
3:48PM - 4:00PM
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JJ10.00005: A First-Principles Study of Energetics of AsxP1-x alloys with A7 and A17 Symmetries
Kazi Jannatul Tasnim, Md Rajib khan Musa, Ming Yu
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Monday, March 20, 2023
4:00PM - 4:12PM
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JJ10.00006: Studies of Effects of External Electric Field on Isolated and Crystalline Furan-derived Nanothread and PVDF through ReaxFF Method
Tao Wang, Yawei Gao, Bo Chen, Vincent H Crespi, Adri C Van Duin
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Monday, March 20, 2023
4:12PM - 4:24PM
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JJ10.00007: Ab-initio high-frequency carrier transport models for 2D semiconducting MXene
Bhaskaran Muralidharan, Anup K Mandia, Rohit Kumar, Namitha Anna Koshi, Satadeep Bhattacharjee, Seung-Cheol Lee
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Monday, March 20, 2023
4:24PM - 4:36PM
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JJ10.00008: Looking for metallic states in novel exfoliable 1D materials
Chiara Cignarella, Davide Campi, Nicola Marzari
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Monday, March 20, 2023
4:36PM - 4:48PM
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JJ10.00009: Building better cluster expansions on a basis-free foundation
Paul E Lammert, Vincent H Crespi
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Monday, March 20, 2023
4:48PM - 5:00PM
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JJ10.00010: Energy landscape in Ni-Co-Cr and related alloys
Nikolai A Zarkevich, Timothy M Smith, John W Lawson
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Monday, March 20, 2023
5:00PM - 5:12PM
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JJ10.00011: Quantum computing for computational materials design
Maximilian Amsler, Johannes Selisko, Thomas Eckl
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