The 100th CSJ Annual Meeting

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Academic Program (AP) [Poster]

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Mon. Mar 23, 2020 3:00 PM - 4:30 PM P (Arena, Morito Memorial Gymnasium [1F])

Presentation time：Odd Poster Number 15:00-15:45 / Even Poster Number 15:45-16:30

[2PC-165] Search for crystal structure candidates using the ADDF method with packing rate function

Poster

○OKI, Takuto; KODAYA, Yoshitomo; MIDORO, Yuuki; YAMAKADO, Hideo (Grad. Sch. Sys. Eng., Wakayama Univ.)

Keywords:crystal structure prediction, packing rate, the Scaled Hypersphere Search method, the ADD following method

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