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Generative structure-property inverse computational co-design of materials

A material structure and material property technology, which is applied in the field of machine learning systems and methods for generating material structures with target material properties, and can solve problems such as time constraints

Pending Publication Date: 2021-04-02
SAMSUNG ELECTRONICS CO LTD
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0009] Additionally, forward design can be limited by the time required to model the properties P of the structure S
Due to time constraints, only a small fraction of the possible range of materials can be simulated

Method used

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  • Generative structure-property inverse computational co-design of materials
  • Generative structure-property inverse computational co-design of materials
  • Generative structure-property inverse computational co-design of materials

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Embodiment Construction

[0044] Hereinafter, example embodiments will be described in more detail with reference to the accompanying drawings, in which like reference numerals denote like elements throughout. However, the invention may be embodied in various different forms and should not be construed as limited to only the embodiments shown herein. Rather, these embodiments are provided as examples so that this disclosure will be thorough and complete, and will fully convey the aspects and features of the invention to those skilled in the art. Therefore, processes, elements and techniques not necessary for a person of ordinary skill in the art to fully understand the aspects and features of the present invention may not be described. Unless otherwise stated, like reference numerals denote like elements throughout the drawings and written description, and thus descriptions of like reference numerals may not be repeated.

[0045] The terminology used herein is for the purpose of describing particular ...

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Abstract

A method and a system for material design utilizing machine learning are provided, where the underlying joint distribution p(S,P) of structure (S)-property (P) relationships is explicitly learned simultaneously and is utilized to directly generate samples (S,P) in a single step utilizing generative techniques, without any additional processing steps. The subspace of structures that meet or exceedthe target for property P is then identified utilizing conditional generation of the distribution (e.g., p(P)), or through randomly generating a large number of samples (S,P) and filtering (e.g., selecting) those that meet target property criteria.

Description

[0001] This application claims priority to U.S. Provisional Application No. 62 / 909,648, filed October 2, 2019, entitled "GENERATIVE STRUCTURE-PROPERTY INVERSE COMPUTATIONAL CO-DESIGN OF MATERIALS" and benefit, the entire contents of said US provisional application are hereby incorporated by reference. [0002] This application is related to U.S. Patent Application No. 16 / 798,245, entitled "ELECTRONIC AND ATOMIC STRUCTURE COMPUTATION UTILIZING MACHINELEARNING," filed February 21, 2020, which requests Priority to and benefit of U.S. Provisional Application No. 62 / 902,324, filed September 18, 2019, entitled "SEMICONDUCTOR DEVICE AND METHOD OFMAKING THE SAME," a U.S. patent application and The entire contents of both US provisional applications are hereby incorporated by reference. technical field [0003] The present disclosure relates generally to systems and methods for material design using machine learning. Background technique [0004] Machine learning has been used in m...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C60/00G06N3/04G06N3/08G06N20/00
CPCG16C60/00G06N3/084G06N20/00G06N3/045G06N3/088G16C20/50G16C20/70G06N3/047G06N7/01G06N20/20G06N20/10G06F30/13G06F30/27
Inventor 伽内什·海吉哈索诺·S·西姆卡
Owner SAMSUNG ELECTRONICS CO LTD