Title:
DETERMINATION DEVICE AND CALCULATION METHOD
Document Type and Number:
WIPO Patent Application WO/2024/090568
Kind Code:
A1
Abstract:
A determination device as an example according to the present disclosure comprises at least one memory and processor. The at least one processor inputs a first atomic structure to a trained model to generate at least one of a first energy or a first force corresponding to the first atomic structure, calculates at least one of a second energy or a second force corresponding to the first atomic structure on the basis of the first atomic structure, a predetermined parameter set, and a potential model, and updates the predetermined parameter set, on the basis of at least one of the difference between the first energy and the second energy or the difference between the first force and the second force to determine a parameter set.
Inventors:
TAKAMOTO SO (JP)
LI WENWEN (JP)
LI WENWEN (JP)
Application Number:
PCT/JP2023/038951
Publication Date:
May 02, 2024
Filing Date:
October 27, 2023
Export Citation:
Assignee:
PREFERRED NETWORKS INC (JP)
ENEOS CORP (JP)
ENEOS CORP (JP)
International Classes:
G06N3/096; G16C10/00
Foreign References:
| JP2021005344A | 2021-01-14 | |||
| CN114925845A | 2022-08-19 |
Other References:
JOE D. MORROW: "Indirect learning and physically guided validation of interatomic potential models", THE JOURNAL OF CHEMICAL PHYSICS, AMERICAN INSTITUTE OF PHYSICS, US, vol. 157, no. 10, 14 September 2022 (2022-09-14), US , XP093162029, ISSN: 0021-9606, DOI: 10.1063/5.0099929
Attorney, Agent or Firm:
SAKAI INTERNATIONAL PATENT OFFICE (JP)
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