Looking for breakthrough ideas for innovation challenges? Try Patsnap Eureka!

A heuristic high-throughput material simulation calculation optimization method

An optimization method and simulation computing technology, applied in the field of materials science, can solve the problem of not being able to fully optimize the execution time of computing-intensive operations, and achieve the effect of shortening the design time, improving efficiency, and efficient decision-making methods.

Active Publication Date: 2019-04-16
TSINGHUA UNIV
View PDF5 Cites 4 Cited by
  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0005] The purpose of the present invention is to propose a heuristic high-throughput material simulation calculation optimization method to overcome the shortcomings of the prior art that cannot fully optimize the execution time of calculation-intensive operations

Method used

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
View more

Image

Smart Image Click on the blue labels to locate them in the text.
Viewing Examples
Smart Image
  • A heuristic high-throughput material simulation calculation optimization method
  • A heuristic high-throughput material simulation calculation optimization method

Examples

Experimental program
Comparison scheme
Effect test

Embodiment Construction

[0021] The present invention proposes a heuristic high-throughput material simulation calculation optimization method, which will be further described in detail below in conjunction with specific embodiments.

[0022] The present invention proposes a heuristic high-throughput material simulation calculation optimization method, assuming that a high-throughput material calculation simulation (HTCS, High Throughput Computing Simulation) is composed of M models, and the expression is as follows:

[0023]

[0024] where M represents the total number of high-throughput material calculation models, Model i represents the i-th model.

[0025] where the i-th model can be represented by N i A job is composed, so the model Model can be further i Expressed as:

[0026]

[0027] Among them, S i,j Indicates the j-th job of the i-th model;

[0028] For different jobs corresponding to the same model, the doping elements are different from each other, and other aspects (referring t...

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

PUM

No PUM Login to View More

Abstract

The invention provides a heuristic high-throughput material simulation calculation optimization method, and belongs to the field of material science. The method comprises the following steps: firstly,determining a shared execution mode of all jobs in high-throughput material calculation simulation; Selecting an unexecuted job from the model containing the maximum number of the unexecuted jobs inthe high-throughput material calculation simulation, and executing the job by adopting an independent execution mode; And obtaining the next execution job by using the heuristic information until alljobs in the high-throughput material calculation simulation are executed. According to the method, adjacent relations between different elements in the periodic table of elements and atomic radiuses of the different elements are used as heuristic information, so that the execution efficiency of the high-throughput operation can be greatly improved, and the design time of a new material is greatlyshortened.

Description

technical field [0001] The invention belongs to the field of material science, and in particular relates to a heuristic high-throughput material simulation calculation optimization method. Background technique [0002] At present, the acquisition of new materials has changed from the traditional mode of discovering new materials through a large number of experiments to the high-throughput calculation mode of designing new materials through a large number of simulation calculations, which can greatly improve the efficiency of new material acquisition. [0003] The so-called high-throughput material calculation means that with the help of powerful computing resources, a large number of calculation tasks can be quickly completed at one time, and the candidate material design that meets the requirements can be screened out through the analysis of the calculation results. Such computing tasks exist in the form of operations on high-performance computing systems in a specific form...

Claims

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

Application Information

Patent Timeline
no application Login to View More
Patent Type & Authority Applications(China)
IPC IPC(8): G06F17/50
CPCG06F30/20
Inventor 都志辉王崇愚
Owner TSINGHUA UNIV
Who we serve
  • R&D Engineer
  • R&D Manager
  • IP Professional
Why Patsnap Eureka
  • Industry Leading Data Capabilities
  • Powerful AI technology
  • Patent DNA Extraction
Social media
Patsnap Eureka Blog
Learn More
PatSnap group products

Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic, Popular Technical Reports.

© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap|About US| Contact US: help@patsnap.com