GraSPI: Extensible software for the graph-based quantification of morphology in organic electronics

dc.contributor.author Jivani, Devyani
dc.contributor.author Zola, Jaroslaw
dc.contributor.author Ganapathysubramanian, Baskar
dc.contributor.author Wodo, Olga
dc.contributor.department Mechanical Engineering
dc.contributor.department Electrical and Computer Engineering
dc.contributor.other Plant Sciences Institute
dc.date.accessioned 2022-02-07T21:16:38Z
dc.date.available 2022-02-07T21:16:38Z
dc.date.issued 2022-01
dc.description.abstract We describe GraSPI - extensible graph-based software implemented as a C/C++ package. GraSPI computes a large set of descriptors relevant to organic electronics given a segmented 2D or 3D microstructure. The package represents a microstructure as an equivalent graph and harnesses algorithms from graph theory to compute those descriptors efficiently. It also includes a suite of tools for converting data between various formats and post-processing the raw results from the graph analysis. Herein, we provide illustrative examples of GraSPI’s capabilities in extracting microstructure descriptors and demonstrate the advantages that a graph-based approach affords via computational complexity analysis.
dc.description.comments This article is published asJivani, Devyani, Jaroslaw Zola, Baskar Ganapathysubramanian, and Olga Wodo. "GraSPI: Extensible software for the graph-based quantification of morphology in organic electronics." SoftwareX 17 (2022): 100969. DOI: 10.1016/j.softx.2021.100969. Copyright 2021 The Author(s).Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0). Posted with permission.
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/EzR2BL2z
dc.language.iso en_US
dc.publisher Elsevier B.V.
dc.source.uri https://doi.org/10.1016/j.softx.2021.100969 *
dc.subject Graph theory
dc.subject Materials informatics
dc.subject Microstructure descriptors
dc.subject Organic photovoltaics
dc.subject.disciplines DegreeDisciplines::Physical Sciences and Mathematics::Computer Sciences
dc.subject.disciplines DegreeDisciplines::Engineering::Mechanical Engineering
dc.subject.disciplines DegreeDisciplines::Life Sciences::Plant Sciences
dc.title GraSPI: Extensible software for the graph-based quantification of morphology in organic electronics
dc.type Article
dspace.entity.type Publication
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