[16ct] Computation and Theory | NT 25（The 25th International Conference on the Science and Applications of Nanotubes and Low-Dimensional Materials）

NT 25（The 25th International Conference on the Science and Applications of Nanotubes and Low-Dimensional Materials）

Session Details

Parallel Symposia : 17th Symposium on Computational Challenges in Nanotubes, 2D Materials, and Their Macroscopic Assemblies

[16ct]Computation and Theory

Mon. Jun 16, 2025 2:00 PM - 5:20 PM JST
Mon. Jun 16, 2025 5:00 AM - 8:20 AM UTC

Conference Room IV(Clock Tower Centennial Hall, 2F)

Chair:Vincent Meunier, Christophe Bichara

2:00 PM - 2:40 PM JST(5:00 AM - 5:40 AM UTC)

[16ct-01]Moiré Band Engineering in Twisted Trilayer Transition Metal Dichalcogenide

Naoto Nakatsuji¹, Takuto Kawakami¹, Hayato Tateishi², Koichiro Kato², *Mikito Koshino¹ (1. University of Osaka (Japan), 2. Kyushu University (Japan))

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2:40 PM - 3:00 PM JST(5:40 AM - 6:00 AM UTC)

[16ct-02]Theoretical prediction of magnetic interaction at homo- or hetero-interfaces of two-dimensional materials

*Cong Wang¹, Wei Ji¹ (1. Renmin University of China (China))

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3:00 PM - 3:20 PM JST(6:00 AM - 6:20 AM UTC)

[16ct-03]Theory of Sigma Bond Resonance in Flat Boron Materials

*Lu Qiu¹, Feng Ding² (1. City University of Hong Kong (Hong Kong), 2. Suzhou Laboratory (China))

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4:00 PM - 4:40 PM JST(7:00 AM - 7:40 AM UTC)

[16ct-04]An Overview of Machine Learning Force Fields for Nanotube Growth Simulations

*Daniel Hedman¹ (1. Center for Multidimensional Carbon Materials (CMCM), Institute for Basic Science (IBS) (Korea))

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4:40 PM - 5:00 PM JST(7:40 AM - 8:00 AM UTC)

[16ct-05]Growth Simulations of Single-Walled Carbon Nanotubes Using Carbon Monoxide with Machine-Learning Force Fields

*Sida Sun¹, Yan Li¹ (1. Peking University (China))

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5:00 PM - 5:20 PM JST(8:00 AM - 8:20 AM UTC)

[16ct-06]Oxygen modulates the catalytic activity of iron for CNT Nucleation

*Ben McLean¹, Alister J. Page², Feng Ding³ (1. RMIT University (Australia), 2. University of Newcastle (Australia), 3. Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences (China))

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