Annual Program Review Abstracts
Publications
Bready, C.; Tuckman, H.; Neuscamman, E. One-Body Properties and Their Perturbative Accuracy with Aufbau Suppressed Coupled Cluster Theory. J. Chem. Theory Comput. 2026, 22 (7), 3358–3372.
Bready, C. J.; Sorescu, A. E.; Glick, C. S.; Shields, G. C. Computational Exploration of the Ability of the 2-Methyltetrols Produced from Photooxidation of Isoprene to Form Prenucleation Complexes. ACS Omega. 2025, 10 (23), 24811–24831.
Hariharan, A.; Bready, C. J.; Ajello, J. G.; Black, S. H.; Shields, G. C.; Johnson, C. J. Stability and Structure of Potentially Atmospherically Relevant Glycine Ammonium Bisulfate Clusters. J. Phys. Chem. A. 2024, 128, 4268–4278.
Longsworth, O. M.; Bready, C. J.; Shields, G. C. The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, nitric acid, hydrochloric acid, ammonia, and dimethylamine. Environ. Sci.: Atmos. 2023, 3, 1585–1600.
Longsworth, O. M.; Bready, C. J.; Shields, G. C. The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, formic acid, hydrochloric acid, ammonia, and dimethylamine. Environ. Sci.: Atmos. 2023, 3, 1335–1351.
Elm, J.; Ayoubi, D.; Engsvang, M.; Jensen, A. B.; Knattrup, Y.; Kubecka, J.; Bready, C. J.; Fowler, V. R.; Harold, S. E.; Longsworth, O. M.; Shields, G. C. Quantum Chemical Modeling of Organic Enhanced Atmospheric Nucleation: A Critical Review. WIREs Comput. Mol. Sci. 2022, e1662.
Bready, C. J.; Fowler, V. R.; Juechter, L. A.; Kurfman, L. A.; Mazaleski, G. E.; Shields, G. C. The Driving Effects of Common Atmospheric Molecules for Formation of Prenucleation Clusters: The case of Sulfuric Acid, Formic Acid, Nitric Acid, Ammonia, and Dimethyl Amine. Environ. Sci.: Atmos. 2022, 2 (6), 1469–1486.
Bready, C. J.; Vanovac, S.; Odbadrakh, T. T.; Shields, G. C. Amino Acids Compete with Ammonia in Sulfuric Acid-Based Atmospheric Aerosol Prenucleation: The Case of Glycine and Serine. J. Phys. Chem. A. 2022, 126 (31), 5195–5206.
London, H.; Pritchett, D.; Pienkos, J.; McMillen, C.; Whittemore, T.; Bready, C.; Myers, A.; Vieira, N.; Harold, S.; Shields, G.; Wagenknecht, P. The Photochemistry and Photophysics of Charge-Transfer Excited States in Emissive d10/d0 Heterobimetallic Titanocene Tweezer Complexes. Inorg. Chem. 2022, 61 (28), 10986–10998.
Harold, S. E.; Bready, C. J.; Juechter, L. A.; Kurfman, L. A.; Vanovac, S.; Fowler, V. R.; Mazaleski, G. E.; Odbadrakh, T. T.; Shields, G. C., Hydrogen-bond topology is more important than acid/base strength in atmospheric prenucleation clusters. J. Phys. Chem. A. 2022, 126 (10), 1718–1728.
Awards
Barry Goldwater Scholarship, 2022
Beckman Scholar, 2022
NSF GRFP Recipient, 2024