INFORMATION PROCESSING METHOD, INFORMATION PROCESSING SYSTEM, AND NON-TRANSITORY COMPUTER-READABLE RECORDING MEDIUM

    公开(公告)号:US20250029683A1

    公开(公告)日:2025-01-23

    申请号:US18906211

    申请日:2024-10-04

    Abstract: An information processing method is an information processing method to be executed by a computer. The information processing method includes acquiring experimental spectrum information indicating an experimental spectrum obtained by actually measuring a material to be searched for; acquiring material information regarding a composition of the material; generating, based on the material information, pieces of candidate structure information regarding candidate structures that are candidates for a crystal structure of the material, and acquiring computational spectrum information indicating computational spectra each corresponding to a corresponding one of the candidate structures; generating structure information regarding the crystal structure, based on a correlation between the experimental spectrum information and the computational spectrum information; and outputting the generated structure information.

    INFORMATION PROCESSING SYSTEM, INFORMATION PROCESSING APPARATUS, COMPUTING APPARATUS, INFORMATION PROCESSING METHOD, AND COMPUTING METHOD

    公开(公告)号:US20240419848A1

    公开(公告)日:2024-12-19

    申请号:US18822330

    申请日:2024-09-02

    Abstract: An information processing system includes: an information processing apparatus that transmits information pertaining to a relational expression representing energy of a structure of an aggregate of atoms; and an optimization apparatus, which is an example of a computing apparatus that performs computation using the relational expression. The relational expression is acquired on the basis of atomic information and position information, and includes two or more variables that indicate the states of atoms located at two or more positions in the aggregate. The information processing apparatus includes: a first communicator that transmits the information pertaining to the relational expression to the optimization apparatus, and receives, from the optimization apparatus, values of the two or more variables derived by performing the above computation; and an outputter that outputs structure information corresponding to the values of the two or more variables.

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