公开(公告)号：US20250014686A1

公开(公告)日：2025-01-09

申请号：US18896110

申请日：2024-09-25

Applicant: Preferred Networks, Inc.

Inventor： Kohei SHINOHARA ,  Kosuke NAKAGO ,  Akihide HAYASHI

IPC: G16C20/30 ,  G16C20/70

Abstract: An estimation apparatus according to an embodiment includes at least one memory and at least one processor. At least one processor described above inputs a feature amount of each of a plurality of atoms to a neural network to update the feature amount, and generates a parameter corresponding to each of the plurality of atoms based on the updated feature amount. At least one processor described above determines each of a plurality of charges corresponding to each of the plurality of atoms by using the parameter.

公开(公告)号：US20240005070A1

公开(公告)日：2024-01-04

申请号：US18343462

申请日：2023-06-28

Applicant: Preferred Networks, Inc.

Inventor： Akihide HAYASHI

IPC: G06F30/27

CPC classification number: G06F30/27 ,  G06F2119/14

Abstract: According to one embodiment, an inference device includes at least one memory and at least one processor. The at least one processor performs a computation for geometry optimization of a substance by a first algorithm. After a predetermined condition is satisfied, the at least one processor performs, based on a result of the computation by the first algorithm, a geometry optimization of the substance by a second algorithm different from the first algorithm.

公开(公告)号：US20250028884A1

公开(公告)日：2025-01-23

申请号：US18775349

申请日：2024-07-17

Applicant: Preferred Networks, Inc. ,  ENEOS Corporation

Inventor： Akihide HAYASHI

IPC: G06F30/27

Abstract: An information processing device includes one or more memories and one or more processors. The one or more processors are configured to: set a first structure of a plurality of atoms; and repeatedly calculate a structural change of the plurality of atoms from the first structure to a second structure of the plurality of atoms under a condition to be satisfied by at least the second structure with regard to an atomic structure to focus on, the condition including an inequality, to search for a trajectory of a structure of the plurality of atoms from the first structure to the second structure.