Generation of dataset for Machine learning forcefield for Pt using ANI-1

○HAYASHI

Presentation information

Academic Program (AP) [Poster]

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-164] Generation of dataset for Machine learning forcefield for Pt using ANI-1

Poster

○HAYASHI, Akihide; OKUMURA, Mitsutaka (Grad. Sch. Sci., Osaka Univ.)

Keywords:ANI-1, machine learning potential, transition metal

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