Title:
MOLECULAR SIMULATION PROGRAM, MOLECULAR SIMULATION METHOD, AND INFORMATION PROCESSING DEVICE
Document Type and Number:
WIPO Patent Application WO/2024/089862
Kind Code:
A1
Abstract:
The present invention efficiently calculates molecular energy corresponding to a plurality of interatomic distances. An information processing device (10) estimates, for interatomic distances (14a, 14b, 14c), estimated execution times (15a, 15b, 15c) and estimated repetition counts (16a, 16b, 16c) of an algorithm that calculates molecular energies using quantum circuit data, on the basis of molecular information (13). The information processing device (10) determines repetition counts (18a, 18b, 18c) for the interatomic distances (14a, 14b, 14c) on the basis of a restriction time (17), the estimated execution times (15a, 15b, 15c), and the estimated repetition counts (16a, 16b, 16c). The information processing device (10) calculates, by executing the algorithm, molecular energies (19a, 19b, 19c) for the interatomic distances (14a, 14b, 14c) on the basis of the repetition counts (18a, 18b, 18c).
Inventors:
HIKIMA YASUNARI (JP)
UMEDA YUHEI (JP)
UMEDA YUHEI (JP)
Application Number:
PCT/JP2022/040286
Publication Date:
May 02, 2024
Filing Date:
October 28, 2022
Export Citation:
Assignee:
FUJITSU LTD (JP)
International Classes:
G16C10/00
Domestic Patent References:
| WO2022107298A1 | 2022-05-27 |
Foreign References:
| JP2021512423A | 2021-05-13 | |||
| JP2022518863A | 2022-03-16 |
Attorney, Agent or Firm:
FUSO INTERNATIONAL PATENT FIRM (JP)
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