G. V. Huerta, Yusuke Nanba, N. Zulkifli, D. S. R. Rocabado, Takayoshi Ishimoto, M. Koyama
a Research Initiative for Supra Materials, Shinshu University b Department of Hydrogen Energy Systems, Graduate School of Engineering, Kyushu University c Graduate School of Nanobioscience, Yokohama City University d Graduate School of Advanced Science and Engineering, Hiroshima University e Open Innovation Institute, Kyoto University *koyama_michihisa@shinshu-u.ac.jp, koyama.michihisa.5k@kyoto-u.ac.jp
{"title":"First-Principles Calculations of Stability, Electronic Structure, and Sorption Properties of Nanoparticle Systems","authors":"G. V. Huerta, Yusuke Nanba, N. Zulkifli, D. S. R. Rocabado, Takayoshi Ishimoto, M. Koyama","doi":"10.2477/jccj.2021-0028","DOIUrl":"https://doi.org/10.2477/jccj.2021-0028","url":null,"abstract":"a Research Initiative for Supra Materials, Shinshu University b Department of Hydrogen Energy Systems, Graduate School of Engineering, Kyushu University c Graduate School of Nanobioscience, Yokohama City University d Graduate School of Advanced Science and Engineering, Hiroshima University e Open Innovation Institute, Kyoto University *koyama_michihisa@shinshu-u.ac.jp, koyama.michihisa.5k@kyoto-u.ac.jp","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2021-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49164172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
As COVID-19 continues to spread, most of the science events in Japan have been canceled, postponed or held online. I will introduce that the public events and gatherings of the Society of Computer Chemistry of Japan are also limited, and describe the importance of digital content and social media collaboration, which is also intended to raise public awareness of the role of computational science.
{"title":"Communicating Computational Science Online","authors":"Y. Honma","doi":"10.2477/JCCJ.2021-0023","DOIUrl":"https://doi.org/10.2477/JCCJ.2021-0023","url":null,"abstract":"As COVID-19 continues to spread, most of the science events in Japan have been canceled, postponed or held online. I will introduce that the public events and gatherings of the Society of Computer Chemistry of Japan are also limited, and describe the importance of digital content and social media collaboration, which is also intended to raise public awareness of the role of computational science.","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69047643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Assignment of the First 275-nm Absorption System of Phenyl Isocyanate by Quantum-Chemistry Calculation","authors":"Yuto Naganuma, Daisuke Ishibashi, K. Okuyama","doi":"10.2477/jccj.2021-0051","DOIUrl":"https://doi.org/10.2477/jccj.2021-0051","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69048096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Chieko Terashima, Y. Tanida, Toshio Manabe, Hiroyuki Sato
{"title":"The Correlation between Similarity of Amino Acid Interaction Potentials and Structure Similarity","authors":"Chieko Terashima, Y. Tanida, Toshio Manabe, Hiroyuki Sato","doi":"10.2477/jccj.2022-0003","DOIUrl":"https://doi.org/10.2477/jccj.2022-0003","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69048204","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Change of Weighted Network Structure of Elastomer during Uniaxial Elongation","authors":"Mariko I. Ito, Yoshifumi Amamoto, T. Ohnishi","doi":"10.2477/jccj.2021-0040","DOIUrl":"https://doi.org/10.2477/jccj.2021-0040","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69048413","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Approaches to molecular dynamics calculations from mathematics / mathematical sciences","authors":"Ryoya Fukasaku, Yoshihiro Mizoguchi, S. Higai","doi":"10.2477/jccj.2021-0043","DOIUrl":"https://doi.org/10.2477/jccj.2021-0043","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69048452","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Miho Tanaka, Yume Takahashi, Keishi Takami, Y. Kitamura, M. Nagaoka
{"title":"Data Scientific Study on Allosteric Regulation of Hemoglobin -The Role of Chloride Ion in Quaternary Structural Change-","authors":"Miho Tanaka, Yume Takahashi, Keishi Takami, Y. Kitamura, M. Nagaoka","doi":"10.2477/jccj.2021-0045","DOIUrl":"https://doi.org/10.2477/jccj.2021-0045","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69048494","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
To look for factors of the COVID-19 spreading in the whole world currently, an empirical study has been tried by using a multi-regression analysis for mortality rates of 47 prefectures as an objective variable, and various indices as the explanatory variables. A support vector machine method was applied to deal with a nonlinear relationship between objective and explanatory variables, and a sensitivity analysis was applied to search the factors of the COVID-19 mortality. Welfare, urbanization, poverty rate, service industry, and sex ratio were obtained as dangerous factors which increase mortality, while single-person households, meals, and sleep were obtained as defensing factors which decrease mortality. Novel and useful knowledge for prevention measure of the COVID-19 was obtained: three factors of urbanization, service industry, and single-person household relating to the Three Cs contribute largest to the mortality, and two factors of welfare and poverty rate, reflecting the reality' of the poor people also contribute.
{"title":"Analysis of COVID-19 Mortality in Japan byUsing Support Vector Machine","authors":"K. Tanabe, Takahiro Suzuki","doi":"10.2477/JCCJ.2020-0030","DOIUrl":"https://doi.org/10.2477/JCCJ.2020-0030","url":null,"abstract":"To look for factors of the COVID-19 spreading in the whole world currently, an empirical study has been tried by using a multi-regression analysis for mortality rates of 47 prefectures as an objective variable, and various indices as the explanatory variables. A support vector machine method was applied to deal with a nonlinear relationship between objective and explanatory variables, and a sensitivity analysis was applied to search the factors of the COVID-19 mortality. Welfare, urbanization, poverty rate, service industry, and sex ratio were obtained as dangerous factors which increase mortality, while single-person households, meals, and sleep were obtained as defensing factors which decrease mortality. Novel and useful knowledge for prevention measure of the COVID-19 was obtained: three factors of urbanization, service industry, and single-person household relating to the Three Cs contribute largest to the mortality, and two factors of welfare and poverty rate, reflecting the reality' of the poor people also contribute.","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69047225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Kazuki Takahashi, Yoshifumi Amamoto, Hiroteru Kikutake, Mariko I. Ito, A. Takahara, T. Ohnishi
{"title":"Random Forest Analysis of X-ray Diffraction and Scattering Data on Crystalline Polymer","authors":"Kazuki Takahashi, Yoshifumi Amamoto, Hiroteru Kikutake, Mariko I. Ito, A. Takahara, T. Ohnishi","doi":"10.2477/jccj.2021-0042","DOIUrl":"https://doi.org/10.2477/jccj.2021-0042","url":null,"abstract":"","PeriodicalId":41909,"journal":{"name":"Journal of Computer Chemistry-Japan","volume":"1 1","pages":""},"PeriodicalIF":0.1,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69048443","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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