钙钛矿材料智能数据库
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- 英文论文题名：Intelligent Perovskites Database
- 论文作者：张庆 ; 陆文聪
- 英文论文作者：Qing Zhang ; Wencong Lu ; School of Materials Science and Engineering ; Shanghai University
- 年：2016
- 作者机构：上海大学材料学院;
- 论文关键词：数据挖掘 ; 机器学习 ; 钙钛矿 ; 数据库
- 英文论文关键词：Data mining ; Machine Learning ; Perovskite ; Database
- 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：TB321
- 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：288k
- 原文格式：D
- 会议级别：全国
摘要
钙钛矿类材料由于具有多种优异的理化性质被研究者广泛研究并应用于不同方面。在应用时由于需求不同,导致所需理化性质不同,可以通过调节钙钛矿的组成对最终材料的理化性质进行调控。本钙钛矿智能数据库,提供钙钛矿类材料各类不同理化性质(如:光学带隙,居里温度,电导率等)的查询功能。对于数据库中尚未收入的钙钛矿材料,可以根据材料组成对应的原子参数,采用我们开发的数据挖掘共享平台预测所需材料的理化性质。
Perovskites,with various physical and chemical properties,have been widely studied and applied in many aspects.Different application requests different property.The properties of materials can be achieved by adjusting the components of perovskites.In the intelligent perovskites database,various properties such as optical band gap and electro-conductibility of perovskites are provided.Meanwhile,prediction of property for an unknown perovskite,is available based on the database and Data mining technology developed in our lab.We hope the perovksites database will be helpful for researches on discovering new perovskite material with significant property.
Perovskites,with various physical and chemical properties,have been widely studied and applied in many aspects.Different application requests different property.The properties of materials can be achieved by adjusting the components of perovskites.In the intelligent perovskites database,various properties such as optical band gap and electro-conductibility of perovskites are provided.Meanwhile,prediction of property for an unknown perovskite,is available based on the database and Data mining technology developed in our lab.We hope the perovksites database will be helpful for researches on discovering new perovskite material with significant property.
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