公开(公告)号：US20250021705A1

公开(公告)日：2025-01-16

申请号：US18900321

申请日：2024-09-27

Applicant: ENEOS Corporation ,  Preferred Networks, Inc.

Inventor： Kota MATSUMOTO ,  Taku WATANABE ,  Takafumi ISHII ,  Ryohto SAWADA

IPC: G06F30/10 ,  G16C20/10

Abstract: An information processing device includes one or more memories; and one or more processors. The one or more processors are configured to search for a reaction path by using one or more trained models that, when receiving an input of a three-dimensional arrangement of two or more atoms forming a molecule, output a physical quantity regarding the molecule.

公开(公告)号：US20240112764A1

公开(公告)日：2024-04-04

申请号：US18533914

申请日：2023-12-08

Applicant: ENEOS Corporation ,  Preferred Networks, Inc.

Inventor： Yoshihiro YAYAMA ,  Yusuke ASANO ,  Takafumi ISHII ,  Takao KUDO ,  Taku WATANABE ,  Ryohto SAWADA

IPC: G16C20/70

CPC classification number: G16C20/70

Abstract: An information processing device includes one or more processors. The one or more processors are configured to optimize, for a specific elementary reaction in a reaction using a catalyst including a plurality of elementary reactions, an arrangement of a promoter element in the catalyst based on activation energy acquired using a trained model, and search for the promoter element based on the activation energy acquired using the trained model for each type of the promoter element.

公开(公告)号：US20250095791A1

公开(公告)日：2025-03-20

申请号：US18965509

申请日：2024-12-02

Applicant: ENEOS Corporation

Inventor： Taku WATANABE ,  Yoshihiro YAYAMA

IPC: G16C20/10 ,  G16C20/50 ,  G16C20/70

Abstract: An information processing device includes a memory and a processor. The memory stores information on a trained model that outputs a physical property value when information on a molecule is input. The processor defines a molecular model representing a target molecular structure and an adsorbent model representing a structure of an adsorbent, performs a simulation in which the trained model is used at least in part in a first model in which the molecular model is placed around the adsorbent model under arbitrary activity and temperature conditions, and acquires an adsorption volume and adsorption structure as a result of the simulation.