Study on anchoring configurations in single molecular junctions by combining unsupervised machine learning and first-principles calculations

Tatsuhiko Ohto; Yuichi Numai; Takuya Inoue; Keigo Minode; Junpei Tokumoto; Ryo Yamada; Yutaka Ie; Yoshio Aso; Hirokazu Tada

Presentation information

Oral presentation

12 Organic Molecules and Bioelectronics » 12.2 Characterization and Materials Physics

[21a-231C-1~11] 12.2 Characterization and Materials Physics

Fri. Sep 21, 2018 9:00 AM - 12:00 PM 231C (3Ｆ_Lounge１)

Yoichi Yamada(Univ. of Tsukuba), Yasuo Nakayama(Tokyo Univ. of Sci.)

9:15 AM - 9:30 AM

[21a-231C-2] Study on anchoring configurations in single molecular junctions by combining unsupervised machine learning and first-principles calculations

〇Tatsuhiko Ohto¹, Yuichi Numai¹, Takuya Inoue², Keigo Minode¹, Junpei Tokumoto¹, Ryo Yamada¹, Yutaka Ie², Yoshio Aso², Hirokazu Tada¹ (1.Sigma-Osaka Univ., 2.ISIR-Osaka Univ.)

Keywords:Molecular Electronics, First-Principles Calculation, Unsupervised Machine Learning