Pub Date : 2019-05-07DOI: 10.1201/9780429070655-50
G. Hernandez, L. Salinas
{"title":"NER Automata Dynamics on Random Graphs *","authors":"G. Hernandez, L. Salinas","doi":"10.1201/9780429070655-50","DOIUrl":"https://doi.org/10.1201/9780429070655-50","url":null,"abstract":"","PeriodicalId":350909,"journal":{"name":"Recent Progress in Computational Sciences and Engineering","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131373244","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}
Pub Date : 2019-05-07DOI: 10.1201/9780429070655-119
M. Shoji, K. Koizumi, Y. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura, K. Yamaguchi
{"title":"Theoretical study on the electronic structure of [4Fe-4S] cluster","authors":"M. Shoji, K. Koizumi, Y. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura, K. Yamaguchi","doi":"10.1201/9780429070655-119","DOIUrl":"https://doi.org/10.1201/9780429070655-119","url":null,"abstract":"","PeriodicalId":350909,"journal":{"name":"Recent Progress in Computational Sciences and Engineering","volume":"2021 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122657449","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}
Pub Date : 2019-05-07DOI: 10.1201/9780429070655-42
M. Gruner, G. Rollmann, A. Hucht, P. Entel
We report on ab initio density functional theory (DFT) calculations of structural properties of large elementary transition metal clusters with up to 561 atoms, corresponding to a diameter of about 2.5 nm, which is a relevant size for practical applications. The calculations were carried out on an IBM Blue Gene/L supercomputer, showing that reasonable scaling up to 1024 processors and beyond can be achieved with modern pseudopotential plane wave codes.
我们报告了从头算密度泛函理论(DFT)计算了具有561个原子的大型元素过渡金属团簇的结构性质，对应直径约为2.5 nm，这是实际应用的相关尺寸。计算是在IBM Blue Gene/L超级计算机上进行的，结果表明，使用现代伪势平面波编码，可以合理地扩展到1024个处理器甚至更多。
{"title":"Massively Parallel Density Functional Theory Calculations of Large Transition Metal Clusters","authors":"M. Gruner, G. Rollmann, A. Hucht, P. Entel","doi":"10.1201/9780429070655-42","DOIUrl":"https://doi.org/10.1201/9780429070655-42","url":null,"abstract":"We report on ab initio density functional theory (DFT) calculations of structural properties of large elementary transition metal clusters with up to 561 atoms, corresponding to a diameter of about 2.5 nm, which is a relevant size for practical applications. The calculations were carried out on an IBM Blue Gene/L supercomputer, showing that reasonable scaling up to 1024 processors and beyond can be achieved with modern pseudopotential plane wave codes.","PeriodicalId":350909,"journal":{"name":"Recent Progress in Computational Sciences and Engineering","volume":"80 5","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"120841124","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}
Pub Date : 2019-05-07DOI: 10.1201/9780429070655-139
Fu-Yun Yu, C. Hung
{"title":"An Empirical Analysis of Online Multiple-Choice Question-Generation Learning Activity for the Enhancement of Students’ Cognitive Strategy Development While Learning Science","authors":"Fu-Yun Yu, C. Hung","doi":"10.1201/9780429070655-139","DOIUrl":"https://doi.org/10.1201/9780429070655-139","url":null,"abstract":"","PeriodicalId":350909,"journal":{"name":"Recent Progress in Computational Sciences and Engineering","volume":"5 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121289947","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}
Pub Date : 2019-05-07DOI: 10.1201/9780429070655-152
D. Emiris, D. Koulouriotis
{"title":"A Systematic Approach to the Grammar and Syntax of Assembly Rules for the Flexible Development of Composite Production Systems","authors":"D. Emiris, D. Koulouriotis","doi":"10.1201/9780429070655-152","DOIUrl":"https://doi.org/10.1201/9780429070655-152","url":null,"abstract":"","PeriodicalId":350909,"journal":{"name":"Recent Progress in Computational Sciences and Engineering","volume":"63 4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116440508","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}
Pub Date : 2019-05-07DOI: 10.1201/9780429070655-134
E. Vairaktaris, I. Vardoulakis
{"title":"Modeling the Effect of Moisture Intrusion","authors":"E. Vairaktaris, I. Vardoulakis","doi":"10.1201/9780429070655-134","DOIUrl":"https://doi.org/10.1201/9780429070655-134","url":null,"abstract":"","PeriodicalId":350909,"journal":{"name":"Recent Progress in Computational Sciences and Engineering","volume":"51 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125764824","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}
Pub Date : 2019-05-07DOI: 10.1201/9780429070655-113
M. Ropotar, Z. Kravanja
{"title":"Optimization of a Batch Reactor using NLP and MINLP","authors":"M. Ropotar, Z. Kravanja","doi":"10.1201/9780429070655-113","DOIUrl":"https://doi.org/10.1201/9780429070655-113","url":null,"abstract":"","PeriodicalId":350909,"journal":{"name":"Recent Progress in Computational Sciences and Engineering","volume":"30 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126482146","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}
Pub Date : 2019-05-07DOI: 10.1201/9780429070655-26
G. Christakos, H. Yu
{"title":"New Results in Computational Porous Media Upscaling","authors":"G. Christakos, H. Yu","doi":"10.1201/9780429070655-26","DOIUrl":"https://doi.org/10.1201/9780429070655-26","url":null,"abstract":"","PeriodicalId":350909,"journal":{"name":"Recent Progress in Computational Sciences and Engineering","volume":"9 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127534353","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}
Pub Date : 2019-05-07DOI: 10.1201/9780429070655-25
Sunyoung Cho, X. Ta, Chang Yoon, S. Han
{"title":"System Reduction Algorithm using Hierarchical Clustering for the Movement-related EEG Recognition","authors":"Sunyoung Cho, X. Ta, Chang Yoon, S. Han","doi":"10.1201/9780429070655-25","DOIUrl":"https://doi.org/10.1201/9780429070655-25","url":null,"abstract":"","PeriodicalId":350909,"journal":{"name":"Recent Progress in Computational Sciences and Engineering","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130628926","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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