Harry Shaw (Xyngal Morph)

Title: Overview of quantum chemistry investigations into classically studied materials with potentially useful quantum properties

Liste de tous les auteurs : Harry Shaw¹, Deborah Preston¹, Virginia Ayres², Kyle Sherbert³, Naveed Naimipour⁴, Nick Savino⁶, Manon Bart⁵, Ryan Glasser⁶

(1) Xyngal Morph LLC, Bel Air, MD

(2) Department of Electrical and Computer Engineering, Michigan State University, East Lansing, MI, USA

(3) Department of Computer Science, Holy Cross University, Notre Dame, IN, USA

(4) Engineering Faculty, Wilbur Wright College, Chicago, IL

(5) Namur Institute for Complex Systems, University of Namur, Namur, Belgium

(6) School of Science and Engineering, Tulane University, New Orleans, LA, USA

Abstract: 

While at NASA Goddard Space Flight Center, several investigations were conducted to take materials that were well characterized in the classical domain to determine if they could be utilized in what can be called the “quantum domain”. Of special interest were radiation effects on GaN nanowires¹,  flying qubit investigations², and tautomers which could be utilized in a variety of quantum circuits. The tautomer investigations were performed on cis- and trans-azobenzene and the proton tautomer croconic acid. Also of interest are the cyclopentadienyls Bis(cyclopentadienyl)cobalt(II) and  Bis(cyclopentadienyl)iron with properties that could make them good candidates for spintronic applications³. In this talk we will discuss some aspects of these investigations including our use of Density Functional Theory (DFT) tools⁴.

NASA’s interest lies in how these materials could be used in systems for quantum communications, computing or other useful applications. Most of this research was conducted by graduate students and faculty associated with our NASA internships. Additional parallel research paths included development of optical angular momentum (OAM) capabilities, quantum entanglement, optical neural networks⁵, and quantum compressive sensing⁶.

1. Jacobs, B. W., V. M. Ayres, R. M. Ronningen, A. F. Zeller, E. H. Carey, M. A. Crimp, M. P. Petkov, S.L. Rutledge ,  J.B. Benavides,   H.C. Shaw et al. “Heavy Ion Interactions with Nanotubes and Nanowires.” In APS March Meeting Abstracts, vol. 1, p. 1163. 2006.
2. Dong, H., Panda, G., Xie, K., Ayres, V., Shaw, H., Preston, D., & Deshpande, M. (2017). Flying qubit investigations for heterostructure-based qubit implementations. In 2017 IEEE 17th International Conference on Nanotechnology, NANO 2017 (pp. 636-640).
3. Leber, Roland. Growth and Characterisation of Metallocene Based Thin Films for Spintronic Applications. Diss. UCL (University College London), 2018.
4. https://www.scm.com/amsterdam-modeling-suite/adf
5. Bart M, Savino NJ, Regmi P, Cohen L, Safavi H, Shaw H, Lohani S, Searles TA, Kirby BT, Lee H, Glasser RT. Deep learning for enhanced free-space optical communications. Machine Learning: Science and Technology. 2022.
6. Sherbert, Kyle M., Naveed Naimipour, Haleh Safavi, Harry C. Shaw, and Mojtaba Soltanalian. “Quantum Compressive Sensing: Mathematical Machinery, Quantum Algorithms, and Quantum Circuitry.” Applied Sciences 12, no. 15 (2022): 7525.https://www.mdpi.com/2076-3417/12/15/7525

This seminar will take place in Room S08 at the Faculty of Sciences.