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

Date
2022-01
Authors
Jivani, Devyani
Zola, Jaroslaw
Ganapathysubramanian, Baskar
Wodo, Olga
Major Professor
Advisor
Committee Member
Journal Title
Journal ISSN
Volume Title
Publisher
Elsevier B.V.
Altmetrics
Authors
Research Projects
Organizational Units
Mechanical Engineering
Organizational Unit
Journal Issue
Series
Department
Mechanical EngineeringElectrical and Computer Engineering
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.
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.
Description
Keywords
Graph theory, Materials informatics, Microstructure descriptors, Organic photovoltaics
Citation
DOI
Collections