Clayborne to study response properties of porphyrin molecules

Andre Clayborne, Assistant Professor, Chemistry and Biochemistry, is set to begin a collaborative research project with co-PI Kim Michelle Lewis, Professor of Physics at Howard University, that aims to accelerate the discovery and use of porphyrin molecules for quantum information technologies using data-centered graph-based neural networks and cognitive computing.

Porphyrins are molecules with a large ring structure composed of four smaller rings from four carbons and one nitrogen. Porphyrin molecules have electrical and optical properties that can be tailored for molecular-based materials and quantum information technologies.

Clayborne and Lewis will integrate data from quantum-mechanical computations, molecular dynamics simulations, scanning tunneling microscope molecular break junctions, and conductive atomic force microscopy with artificial intelligence techniques. Via this highly integrative work, the researchers will construct a comprehensive database for porphyrins and metal-porphyrins with experimental and theoretical values including response functions, such as conductance curves, and will develop a cognitive computing protocol for predicting porphyrin molecules and their response properties. In addition, the research team will develop a web-based application programming interface to use the Porphyrin Project database with an industrial partner, Performigence.

Clayborne will receive $382,932 from the National Science Foundation for this project. Funding will begin in June 2021 and will end in late May 2024.

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