INFORMATION PROCESSING PROGRAM, INFORMATION PROCESSING METHOD, AND INFORMATION PROCESSING DEVICE

    公开(公告)号:EP4163920A1

    公开(公告)日:2023-04-12

    申请号:EP20939180.4

    申请日:2020-06-05

    申请人: FUJITSU LIMITED

    IPC分类号: G16C20/40

    摘要: An information processing program for causing a computer to perform processing including: dividing a sequence indicating a rational formula of a compound, into a character string of a minimum unit of the sequence and a branch symbol indicating a branched portion of the compound; generating a first coded sequence by using a group dictionary indicating a relationship between the sequence and the compression code, the generating including assigning a compression code to the character string of the minimum unit, and assigning the compression code according to a type of the branched portion to the branch symbol; and generating a second coded sequence by using a primary structure dictionary indicating a relationship between a group primary structure of the sequence and the compression code, the generating of the second coded sequence including encoding the compression code in the first coded sequence in units of the group primary structure.

    STRUCTURE SEARCH METHOD, STRUCTURE SEARCH APPARATUS, AND PROGRAM

    公开(公告)号:EP3826022A1

    公开(公告)日:2021-05-26

    申请号:EP20202456.8

    申请日:2020-10-18

    申请人: FUJITSU LIMITED

    发明人: SATO, Hiroyuki

    IPC分类号: G16C20/40 G16B15/00

    摘要: A structure search method includes: sequentially arranging, by a computer, n compound groups at each lattice point, of a plurality of lattice points, of a three-dimensional lattice space to create a three-dimensional structure of a compound in the three-dimensional lattice space, the n compound groups being coupled to each other in the compound; and calculating a minimum energy of an Ising model by performing a ground state search using an annealing method on the Ising model transformed based on constraint conditions for each of the lattice points, the constraint conditions including: a first constraint that each of the n compound groups is arranged at only one lattice point; a second constraint that the n compound groups do not overlap with each other at each of the lattice points; and a third constraint that relates to coupling of the n compound groups and increases energy of the Ising model calculated when the constraint is not satisfied.

    STABLE STRUCTURE SEARCH SYSTEM, STABLE STRUCTURE SEARCH METHOD, AND STABLE STRUCTURE SEARCH PROGRAM

    公开(公告)号:EP4293674A1

    公开(公告)日:2023-12-20

    申请号:EP23155997.2

    申请日:2023-02-10

    申请人: FUJITSU LIMITED

    发明人: Katayama, Kentaro

    IPC分类号: G16C20/30 G16B15/00 G16C20/40

    摘要: A stable structure search system including: a calculation unit that, in a model in which N particles (N is an integer equal to or greater than two) arranged in a shape of a row are arranged in a lattice space, calculates coordinates in the lattice space of an i+1-th particle in the row, by using the coordinates in the lattice space of an i-th particle in the row, and state variables represented by relative coordinates in the lattice space of the i-th particle and the i+1-th particle; a computation unit that computes a value of energy of the model, based on the coordinates in the lattice space of each of the N particles, every time the state variables are altered; and a specifying unit that specifies the state variables with which the value of the energy has a local minimum value.

    SYSTEM FOR DETERMINING MATERIAL TO BE PROPOSED TO USER

    公开(公告)号:EP4145452A1

    公开(公告)日:2023-03-08

    申请号:EP21795631.7

    申请日:2021-04-09

    申请人: Hitachi, Ltd.

    IPC分类号: G16C20/40

    摘要: A system for determining a material to propose to a user is disclosed. The system calculates an availability evaluation value indicating availability for a user of each of materials based on a chemical formula of each of the materials. The system estimates a physical property value of each of the materials based on a chemical formula of each of the materials. The system calculates a physical property evaluation value of each of the materials based on an estimation result of the physical property value of each of the materials. The system calculates an overlooking risk evaluation value indicating priority of presenting each of the materials to the user based on the availability evaluation value and the physical property evaluation value of each of the materials. The system selects a material to present as a candidate material from the materials according to the overlooking risk evaluation value.