Gregory Curtin

Works (5)

Updated: August 6th, 2023 05:02

2023 article

Adaptive basis sets for practical quantum computing

Kwon, H. Y., Curtin, G. M., Morrow, Z., Kelley, C. T., & Jakubikova, E. (2023, April 5). International Journal of Quantum Chemistry, Vol. 4.

By: H. Kwon n, G. Curtin n , Z. Morrow n , C. Kelley n  & E. Jakubikova n 

author keywords: adaptive basis set; potential energy surface; quantum computing
topics (OpenAlex): Quantum Computing Algorithms and Architecture; Quantum and electron transport phenomena; Advancements in Semiconductor Devices and Circuit Design
TL;DR: This work shows that the use of adaptive basis sets, in which exponents and contraction coefficients depend on molecular structure, provide an easy way to dramatically improve the accuracy of quantum chemical calculations without the need to increase the basis set size and thus the number of qubits utilized in quantum circuits. (via Semantic Scholar)
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: April 6, 2023

2022 article

Extended π-Conjugated Ligands Tune Excited-State Energies of Iron(II) Polypyridine Dyes

Curtin, G. M., & Jakubikova, E. (2022, November 11). Inorganic Chemistry, Vol. 11.

By: G. Curtin n  & E. Jakubikova n 

topics (OpenAlex): Porphyrin and Phthalocyanine Chemistry; Metal complexes synthesis and properties; Photochemistry and Electron Transfer Studies
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: December 5, 2022

2022 article

Manipulating Excited State Properties of Iridium Phenylpyridine Complexes with “Push–Pull” Substituents

Turner, E. E., Breen, D. J., Kosgei, G., Crandall, L. A., Curtin, G. M., Jakubikova, E., … Rack, J. J. (2022, November 14). Inorganic Chemistry, Vol. 11.

By: E. Turner*, D. Breen*, G. Kosgei *, L. Crandall*, G. Curtin n , E. Jakubikova n , R. O’Donnell *, C. Ziegler *, J. Rack *

topics (OpenAlex): Organic Light-Emitting Diodes Research; Lanthanide and Transition Metal Complexes; Photochemistry and Electron Transfer Studies
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: December 5, 2022

2021 article

Are all charge-transfer parameters created equally? A study of functional dependence and excited-state charge-transfer quantification across two dye families

Marshburn, R. D., Ashley, D. C., Curtin, G. M., Sultana, N., Liu, C., Vinueza, N. R., … Jakubikova, E. (2021, January 1). Physical Chemistry Chemical Physics, Vol. 8.

By: R. Marshburn n, D. Ashley*, G. Curtin n , N. Sultana n, C. Liu  n, N. Vinueza n , E. Ison n , E. Jakubikova n 

topics (OpenAlex): Photochemistry and Electron Transfer Studies; Electrochemical Analysis and Applications; Spectroscopy and Quantum Chemical Studies
TL;DR: A combined experimental and computational study of the excited-state electronic structure of twenty organic dyes obtained from the Max Weaver Dye Library at NCSU found that hybrid functionals with modest amounts of included Hartree-Fock exchange are the most effective at matching the experimentally determined λmax. (via Semantic Scholar)
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: September 20, 2021

2020 article

The Influence of Nucleophilic and Redox Pincer Character as well as Alkali Metals on the Capture of Oxygen Substrates: The Case of Chromium(II)

Labrum, N. S., Curtin, G. M., Jakubikova, E., & Caulton, K. G. (2020, March 19). Chemistry - A European Journal, Vol. 26, pp. 9547–9555.

By: N. Labrum *, G. Curtin n , E. Jakubikova n  & K. Caulton *

author keywords: aggregates; chromium; oxo; pincer ligands; reduction
topics (OpenAlex): Metal-Catalyzed Oxygenation Mechanisms; Lanthanide and Transition Metal Complexes; Metal complexes synthesis and properties
TL;DR: The remarkable [K 4 (THF) 10 Cr 2 L 2 (μ-O)], is shown by comprehensive DFT calculations and analysis of intra-ligand bond lengths to contain a pyridyl radical L 3- and Cr II , illustrating that this pincer is proton-responsive, redox active, and a versatile donor to associated K + ions here. (via Semantic Scholar)
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: July 27, 2020

Employment

Updated: October 20th, 2025 11:45

2025 - present

Ames National Laboratory Ames, Iowa, US
Postdoctoral Research Associate Chemical and Biological Science

2023 - 2025

University of North Carolina at Chapel Hill Chapel Hill, US
Postdoctoral Research Associate Chemistry

Education

Updated: September 7th, 2023 12:20

2018 - 2023

NC State University Raleigh, NC, US
PhD Chemistry

2014 - 2018

Rochester Institute of Technology Rochester, NY, US
Bachelors of Science Chemistry and Material Science

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