Welcome to the Zimmerman Research Group! We are a computational chemistry group focusing on developing electronic structure methods and simulating reactions for understanding complex chemical phenomena. Look through our papers to see the diversity of research interests in our group.

The Zimmerman group believes that diversity drives innovation in chemistry. The surest guarantee of the diversity of thought is an inclusive, open environment that encourages all voices to be heard. We see our differences in race, ethnicity, gender identity, sexual orientation, socioeconomic status, language, culture, national origin, religious commitment, age, veteran status, (dis)ability status, or political preference as catalysts to drive our science forward and develop our group members into world-class researchers and well-rounded individuals. We hold firm to the truth that regardless of background or skillset, one only needs to embrace thinking and learning about chemistry to succeed in our group.

We strive to create an environment where everyone can feel welcome and supported. Please enjoy browsing our webpages to learn more about group activities.

Recent Publications

154. Y. Wang, S. Das, K. Aboulhosn, S. Champagne, P. Gemmel, K. Skinner, S. Ragsdale, P. M. Zimmerman, A. Narayan, “Nature-inspired radical pyridoxal-mediated C–C bond formation,” J. Am. Chem. Soc. 2024, in press.

153. J. Choi, H. Im, D. W. Kim, H. Jiang, A. Stark, W. Shao, P. M. Zimmerman, G. W. Jeon, E. H. Hwang, S. Kim, D. H. Park, J. Kim, “Microsecond Triplet Emitters by Hybridizing Organic with 2-D transition Metal Dichalcogenides,” Nature Commun. 2024, in press.

152. A. E. Rask, L. Li, P. M. Zimmerman, “The Kohn-Sham Density in a Slater Orbital Basis,” J. Phys. Chem. A 2024, 128, 3194-3204.

151. Y. Wang, K. J. Torma, J. Pyser, P. M. Zimmerman, A. Narayan, “Substrate-selective catalysis enabled synthesis of azaphilone natural products,” ACS Cent. Sci. 2024, 10, 708-716.

150. O. Zhelavskyi, S. Parikh, Y.-J. Jhang, R. J. Staples, P. M. Zimmerman,* P. Nagorny, “Green Light Promoted Iridium(III)/Copper(I)-Catalyzed Addition of Alkynes to Aziridinoquinoxalines Through the Intermediacy of Azomethine Ylides,” Angew. Chem. Int. Ed. 2024, 63, e202318876.

149. J. A. Kammeraad, S. Das, A. J. Arguelles, F. B. Sayyed, P. M. Zimmerman, “Conformational Sampling over Transition Metal Catalyzed Reaction Pathways: Towards Revealing Atroposelectivity,” Org. Lett. 2024, 26, 2867-2871.

148. L. Yao, K. Rivera Cruz, P. M. Zimmerman, N. Singh, C. McCrory, “Electrochemical CO₂ Reduction to Methanol by Cobalt Phthalocyanine: Quantifying CO₂ and CO Binding Strengths and Their Influence on Methanol Production,” ACS Catal. 2024, 14, 366-372.

147. S. Das, B. Kanungo, V. Subramanian, G. Panigrahi, P. Motamarri, D. Rogers, P. M. Zimmerman, V. Gavini, “Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys,” Proc. Intl. Conf. High Perf. Comput. 2023, 1, 1-12.

146. B. Kanungo, J. Hatch, P. M. Zimmerman, V. Gavini, “Exact and model exchange-correlation potentials for open-shell systems,” J. Phys. Chem. Lett. 2023, 14, 10039-10045.

145. R. Di Delice, P. M. Zimmerman, et al., “A Perspective on Sustainable Computational Chemistry Software Development and Integration,” J. Chem. Theory. Comput. 2023, 19, 7056-7076.