Wednesday, March 8, 2023
11:30AM - 12:06PM
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N28.00001: Machine Learning Based Electronic Structure Prediction: From Nanostructures to Complex Alloys
Invited Speaker:
Amartya S Banerjee
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Wednesday, March 8, 2023
12:06PM - 12:18PM
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N28.00002: Novel high-mobility candidates from the Materials Cloud 2D database
Norma Rivano, Thibault Sohier, Giovanni Pizzi, Nicola Marzari
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Wednesday, March 8, 2023
12:18PM - 12:30PM
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N28.00003: A novel first principles framework for the study of chiral matter
Shivang Agarwal, Amartya S Banerjee
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Wednesday, March 8, 2023
12:30PM - 12:42PM
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N28.00004: Trends in MXene structure due to elemental composition: A DFT study
Emily Sutherland, N. Aaron Deskins
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Wednesday, March 8, 2023
12:42PM - 12:54PM
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N28.00005: Mapping 2D Sliding Mechanisms of Bilayer and Bulk Ni-doped MoS2 from First Principles
Elsa B Vazquez, Enrique Guerrero, David A Strubbe
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Wednesday, March 8, 2023
12:54PM - 1:06PM
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N28.00006: Computational dissection of 2-dimensional tetrahexagonal InN alloys: Anisotropic mechanical, electronic, and charge carrier transport properties for photocatalytic water splitting
Engin Durgun, Dogukan H Ozbey, Mehmet E Kilic
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Wednesday, March 8, 2023
1:06PM - 1:18PM
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N28.00007: Machine learning of borophene-boride hetero-structures for borophene synthesis
Luqing Wang, Qunfei Zhou, Qiucheng Li, Joshua T Paul, Mark C Hersam, Pierre Darancet, Maria K Chan
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Wednesday, March 8, 2023
1:18PM - 1:30PM
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N28.00008: Expanding two-dimensional databases by combining exhaustive search and machine learning
Aldo H Romero, Ludger Witz, Hai-Chen Wang, Jonathan Schmidt, Miguel A Marques
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Wednesday, March 8, 2023
1:30PM - 1:42PM
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N28.00009: Leveraging Deep Neural Networks and Density Functional Theory to guide two-dimensional material synthesis using Chemical Vapor Deposition.
John P Ferrier
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Wednesday, March 8, 2023
1:42PM - 1:54PM
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N28.00010: Janus Ge2PX (X: N, As, Sb, Bi) Monolayers: First-principles Investigation of Electronic and Thermomelectric Properties
Engin Durgun, Dogukan H Ozbey, Gozde Ozbal-Sargin, Mirali Jahangirzadeh, Haldun Sevincli
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Wednesday, March 8, 2023
1:54PM - 2:06PM
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N28.00011: Exploring MAX and MAB phases using first-principles methods
Paromita Dutta, Deniz Cakir, Turan Birol
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Wednesday, March 8, 2023
2:06PM - 2:18PM
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N28.00012: Elastic Properties in Monolayer Covalent-Organic Frameworks
David Bodesheim, Alexander Croy, Arezoo Dianat, Gianaurelio Cuniberti, Antonios Raptakis
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Wednesday, March 8, 2023
2:18PM - 2:30PM
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N28.00013: Elemental Amorphous Carbon versus Binary Amorphous Boron Nitride Monolayers
Yu-Yang Zhang, Yu-Tian Zhang, Yun-Peng Wang, Shixuan Du, Sokrates T Pantelides
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