MRM2023/IUMRS-ICA2023

Presentation information

Oral Session

A. Fundamentals » [A-1] New Methodology for Developing Innovative Materials

[A1-O201] Oral 201

Tue. Dec 12, 2023 10:00 AM - 12:00 PM Session 5 (Room E)

Chair: Hiroshi Katayama-Yoshida (Osaka University )

11:40 AM - 12:00 PM

[A1-O201-05] First-principles study of THz dielectric properties of liquid molecules with a machine learning model for dipole moments

*Tomohito Amano1, Tamio Yamazaki2, Shinji Tsuneyuki1 (1. The university of Tokyo (Japan), 2. JSR-UTokyo Collaboration Hub, CURIE, JSR Corporation (Japan))

Keywords:Machine learning, Dielectric function, Molecular dynamics, ab-initio calculation

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