The 99th CSJ Annual Meeting

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Academic Program (AP) [Poster]

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 17, 2019 10:00 AM - 11:30 AM P (Arena, Gymnasium and Auditorium [1F])

Presentation time：Odd Poster Number 10:00-10:45 / Even Poster Number 10:45-11:30

[2PA-198] Determination of the range separation parameter in LC-ωPBE using machine learning

Poster

○OSAKI, Yamato; FUJITA, Takehiro; MATSUI, Toru; SUMITA, Masato; MORIHASHI, Kenji (Sch. Sci. Eng., Univ. of Tsukuba)

Keywords:density functional theory、Long-range correction、charge transfer、machine learning

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