数据挖掘方法及其在材料设计和优化中的应用
详细信息 查看官网全文
- 英文论文题名：Data Mining Methods and their Applications to Materials Design and Optimization
- 论文作者：陆文聪 ; 张庆 ; 纪晓波
- 英文论文作者：Wencong Lu ; Qing Zhang ; Xiaobo Ji ; Department of Chemistry ; College of Sciences ; Shanghai University
- 年：2016
- 作者机构：上海大学理学院化学系;
- 论文关键词：材料基因组计划 ; 数据挖掘 ; 材料设计 ; 材料优化
- 英文论文关键词：Materials genome initiative ; Data mining ; Materials design ; Materials optimization
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第二十五分会：化学信息学与化学计量学
- 语种：中文
- 分类号：TB30
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第二十五分会 ; 化学信息学与化学计量学
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：287k
- 原文格式：D
- 会议级别：全国
摘要
在材料基因组工程研究背景下,材料设计和优化工作对于加快新材料研发速度至关重要。本文介绍了若干数据挖掘方法(包括我们实验室研发的新方法),用以满足材料设计和优化的需求。研究表明:材料QSPR模型和模式识别图有助于所需新材料的设计或筛选。
Materials design is the most important and fundamental work on the background of materials genome initiative for global competitiveness proposed by the National Science and Technology Council of America.In this paper,several data mining methods including novel techniques developed in our lab are introduced to meet the different tasks of materials design or optimization.It can be concluded from case studies that not only QSPR models but also pattern recognition diagrams are very helpful to design or screen new materials desired.
Materials design is the most important and fundamental work on the background of materials genome initiative for global competitiveness proposed by the National Science and Technology Council of America.In this paper,several data mining methods including novel techniques developed in our lab are introduced to meet the different tasks of materials design or optimization.It can be concluded from case studies that not only QSPR models but also pattern recognition diagrams are very helpful to design or screen new materials desired.
引文
[1]陆文聪、李国正、刘亮、包新华,《化学数据挖掘方法与应用》,中国化学工业出版社,2012
[2]Lu Wen-cong;Ji Xiao-bo;Li Min-jie;Liu Liang;Yue Bao-hua;Zhang Liang-miao.,Using support vector machine for materials design.Advances in Manufacturing,2013,1(2),151-159
[2]Lu Wen-cong;Ji Xiao-bo;Li Min-jie;Liu Liang;Yue Bao-hua;Zhang Liang-miao.,Using support vector machine for materials design.Advances in Manufacturing,2013,1(2),151-159