Rate My Professor George Shields

Shields' research specializations encompass computational chemistry, structural biochemistry, and science education. He employs quantum chemistry, Monte Carlo simulations, and molecular dynamics techniques to investigate molecular structures and functions, with specific foci on computational pKa predictions accounting for solvation effects in aqueous solutions, drug design targeting breast cancer through replica exchange molecular dynamics for lead compound identification, and the structures and properties of water clusters and atmospheric hydrates relevant to nucleation rates and climate models. Since 1993, he has authored or co-authored 120 scientific papers, including 76 with 70 undergraduate co-authors, and his students have presented at over 200 national and international conferences. Key publications include "The Hydration of Trifluoroacetic Acid from 0 K to 298 K" (Journal of Physical Chemistry A, 2026), "Quantum Chemical Exploration of Fentanyl and Its Analogs: Conformational Landscapes and Energetics in Solution" (ACS Omega, 2025), "Reliable Structures and Electronic Energies of Small Water Clusters Using Density Functional and Local Correlation Coupled Cluster Model Chemistries" (Journal of Physical Chemistry A, 2025), and "Computational Exploration of the Ability of the 2-Methyltetrols Produced from Photooxidation of Isoprene to Form Prenucleation Complexes" (ACS Omega, 2025). He has secured over $7.3 million in funding to support undergraduate research. Shields' mentorship has propelled over 140 undergraduates, resulting in 46 national awards such as four Fulbrights, 15 Goldwaters, and 10 graduate fellowships, with 90% pursuing advanced degrees in science, medicine, law, or business. His accolades include the 2015 American Chemical Society Award for Research at an Undergraduate Institution, the 2018 Research Corporation for Science Advancement Transformational Research and Excellence in Education Award, election as a Fellow of the American Association for the Advancement of Science in 2019, Fellow of the American Chemical Society in 2020, Council on Undergraduate Research Fellow Award in 2020, and the 2022 CUR-Goldwater Scholars Faculty Mentor Award. He serves on the advisory board of the Journal of Physical Chemistry.