$Creation of crystal structure reproducing X-ray diffraction pattern without using database$

Chemistry

Creation of crystal structure reproducing X-ray diffraction pattern without using database

J. Lee, J. Oba, et al.

Discover Evolv&Morph, an innovative approach to creating crystal structures that can reproduce X-ray diffraction patterns without databases. Developed by Joohwi Lee, Junpei Oba, Nobuko Ohba, and Seiji Kajita from Toyota Central R&D Labs, this automated method combines evolutionary algorithms and Bayesian optimization for unmatched accuracy in material design.

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