{"title":"用图神经网络预测晶体材料的带隙","authors":"I. Rubtsov, Kirill Karpov, A. Mitrofanov","doi":"10.29003/m2477.mmmsec-2021/81-83","DOIUrl":null,"url":null,"abstract":"In this paper, graph convolutional neural network is modeled to predict band gap from the crystal structure using the experimental base.","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"16 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2021-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"PREDICTION OF THE BAND GAP OF CRYSTAL MATERIALS USING GRAPH NEURAL NETWORK\",\"authors\":\"I. Rubtsov, Kirill Karpov, A. Mitrofanov\",\"doi\":\"10.29003/m2477.mmmsec-2021/81-83\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In this paper, graph convolutional neural network is modeled to predict band gap from the crystal structure using the experimental base.\",\"PeriodicalId\":151453,\"journal\":{\"name\":\"Mathematical modeling in materials science of electronic component\",\"volume\":\"16 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-10-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Mathematical modeling in materials science of electronic component\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.29003/m2477.mmmsec-2021/81-83\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Mathematical modeling in materials science of electronic component","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.29003/m2477.mmmsec-2021/81-83","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}