The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
Jul. 12, 2022

Filed:

Nov. 26, 2019
Applicant:

Fujitsu Limited, Kawasaki, JP;

Inventors:

Liuan Wang, Beijing, CN;

Jun Sun, Beijing, CN;

Assignee:

FUJITSU LIMITED, Kawasaki, JP;

Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G06F 30/20 (2020.01); G06F 17/18 (2006.01); G06N 3/04 (2006.01);
U.S. Cl.
CPC ...
G06F 30/20 (2020.01); G06F 17/18 (2013.01); G06N 3/0454 (2013.01); G06N 3/0472 (2013.01);
Abstract

A method and a device for simulating atomic dynamics includes setting initial positions for multiple specific atoms in a specific scene; calculating, based on the initial positions, positions of the multiple specific atoms at each time in a first time series by utilizing a Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) configured with respect to the specific scene, as real positions; calculating, based on the initial positions, positions of the multiple specific atoms at the same time in the first time series by utilizing a generative adversarial network (GAN), as predicted positions; improving a configuration of the GAN based on the real positions and the predicted positions at a same time. Initial positions are settable for multiple atoms to be simulated in a scene; positions of the multiple atoms to be simulated are calculated at each time in a second time series in the scene by utilizing the improved GAN.


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