Investigating Data Reusability in Density Functional Theory Studies

Rob Fleur; Addy Ireland; Xintong Zhao; Scott McClellan; Eric Paltoo; Tianyu Su; Channyung Lee; Yuan An; Xiaohua Hu; Elif Ertekin; Jane Greenberg

doi:10.1109/BigData59044.2023.10386967

Investigating Data Reusability in Density Functional Theory Studies

Rob Fleur, Addy Ireland, Xintong Zhao, Scott McClellan, Eric Paltoo, Tianyu Su, Channyung Lee, Yuan An, Xiaohua Hu, Elif Ertekin, Jane Greenberg

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

Over the last decade, there has been a significant increase in supporting reproducible computational research (RCR) [1]. The global adoption of the FAIR principles [2] stands as a key indicator of this trend. Specifically, federal and global research funding agencies have increasingly mandated scientific data and related products, such as code and algorithms, be made Findable, Accessible, Interoperable, and Reusable (FAIR) [2].

Original language	English (US)
Title of host publication	Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023
Editors	Jingrui He, Themis Palpanas, Xiaohua Hu, Alfredo Cuzzocrea, Dejing Dou, Dominik Slezak, Wei Wang, Aleksandra Gruca, Jerry Chun-Wei Lin, Rakesh Agrawal
Publisher	Institute of Electrical and Electronics Engineers Inc.
Pages	6143-6144
Number of pages	2
ISBN (Electronic)	9798350324457
DOIs	https://doi.org/10.1109/BigData59044.2023.10386967
State	Published - 2023
Event	2023 IEEE International Conference on Big Data, BigData 2023 - Sorrento, Italy Duration: Dec 15 2023 → Dec 18 2023

Publication series

Name	Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023

Conference

Conference	2023 IEEE International Conference on Big Data, BigData 2023
Country/Territory	Italy
City	Sorrento
Period	12/15/23 → 12/18/23

ASJC Scopus subject areas

Artificial Intelligence
Computer Networks and Communications
Computer Science Applications
Information Systems
Information Systems and Management
Safety, Risk, Reliability and Quality

Online availability

10.1109/BigData59044.2023.10386967

Library availability

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Cite this

Fleur, R., Ireland, A., Zhao, X., McClellan, S., Paltoo, E., Su, T., Lee, C., An, Y., Hu, X., Ertekin, E., & Greenberg, J. (2023). Investigating Data Reusability in Density Functional Theory Studies. In J. He, T. Palpanas, X. Hu, A. Cuzzocrea, D. Dou, D. Slezak, W. Wang, A. Gruca, J. C.-W. Lin, & R. Agrawal (Eds.), Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023 (pp. 6143-6144). (Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/BigData59044.2023.10386967

Investigating Data Reusability in Density Functional Theory Studies. / Fleur, Rob; Ireland, Addy; Zhao, Xintong et al.
Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023. ed. / Jingrui He; Themis Palpanas; Xiaohua Hu; Alfredo Cuzzocrea; Dejing Dou; Dominik Slezak; Wei Wang; Aleksandra Gruca; Jerry Chun-Wei Lin; Rakesh Agrawal. Institute of Electrical and Electronics Engineers Inc., 2023. p. 6143-6144 (Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Fleur, R, Ireland, A, Zhao, X, McClellan, S, Paltoo, E, Su, T, Lee, C, An, Y, Hu, X, Ertekin, E & Greenberg, J 2023, Investigating Data Reusability in Density Functional Theory Studies. in J He, T Palpanas, X Hu, A Cuzzocrea, D Dou, D Slezak, W Wang, A Gruca, JC-W Lin & R Agrawal (eds), Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023. Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023, Institute of Electrical and Electronics Engineers Inc., pp. 6143-6144, 2023 IEEE International Conference on Big Data, BigData 2023, Sorrento, Italy, 12/15/23. https://doi.org/10.1109/BigData59044.2023.10386967

Fleur R, Ireland A, Zhao X, McClellan S, Paltoo E, Su T et al. Investigating Data Reusability in Density Functional Theory Studies. In He J, Palpanas T, Hu X, Cuzzocrea A, Dou D, Slezak D, Wang W, Gruca A, Lin JCW, Agrawal R, editors, Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023. Institute of Electrical and Electronics Engineers Inc. 2023. p. 6143-6144. (Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023). doi: 10.1109/BigData59044.2023.10386967

Fleur, Rob ; Ireland, Addy ; Zhao, Xintong et al. / Investigating Data Reusability in Density Functional Theory Studies. Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023. editor / Jingrui He ; Themis Palpanas ; Xiaohua Hu ; Alfredo Cuzzocrea ; Dejing Dou ; Dominik Slezak ; Wei Wang ; Aleksandra Gruca ; Jerry Chun-Wei Lin ; Rakesh Agrawal. Institute of Electrical and Electronics Engineers Inc., 2023. pp. 6143-6144 (Proceedings - 2023 IEEE International Conference on Big Data, BigData 2023).

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Investigating Data Reusability in Density Functional Theory Studies

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