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. 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
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)
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: April 6, 2023

2022 article

Extended pi-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 

UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
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 , . Ryan M. O'Donnell *, C. Ziegler *, J. Rack *

UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
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, August 30). 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 

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)
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: September 20, 2021

2020 journal 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)

CHEMISTRY-A EUROPEAN JOURNAL, 26(43), 9547–9555.

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

author keywords: aggregates; chromium; oxo; pincer ligands; reduction
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)
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: July 27, 2020

Employment

Updated: January 8th, 2025 12:32

2023 - present

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

Citation Index includes data from a number of different sources. If you have questions about the sources of data in the Citation Index or need a set of data which is free to re-distribute, please contact us.

Certain data included herein are derived from the Web of Science© and InCites© (2025) of Clarivate Analytics. All rights reserved. You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.