Welcome!

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

110. C. R. Aldaz, T. E. Wiley, N. A. Miller, N. Abeyrathna, Y. Liao, P. M. Zimmerman, R. Sension, “Experimental and theoretical characterization of ultrafast water-soluble photochromic photoacids,” J. Phys. Chem. A 2021, in press.

109. H. Shen, M. J. Larsen, A. G. Roessler, P. M. Zimmerman, A. J. Boydston, “Mechanochemical Release of N-heterocyclic Carbenes from Flex-Activated Mechanophores,” Angew. Chem. Intl. Ed. 2021, in press.

108. T. Malakar, K. Hanson, J. Devery, P. M. Zimmerman,* Combined Theoretical and Experimental Investigation of Lewis Acid-Carbonyl Interactions for Metathesis, ACS Catal. 2021, 11, 4381-4394.

107. S. Yang, S. R. Gitter, A. G. Roessler, P. M. Zimmerman, A. J. Boydston, “An Ion-Pairing Approach to Stereoselective Metal-Free Ring-Opening Metathesis Polymerization,” Angew. Chem. Intl. Ed. 2021, in press.

106. A. E. Rask, P. M. Zimmerman,* “Towards Full Configuration Interaction for Transition Metal Complexes,” J. Phys. Chem. A 2021, 125, 1598-1609.

105. T. Malakar, P. M. Zimmerman,* “Brønsted Acid-Catalyzed Intramolecular Carbonyl-Olefin Reactions: Interrupted Metathesis vs. Carbonyl-Ene Reaction,” J. Org. Chem. 202186, 3008-3016.

104. D.-K. Dang, P. M. Zimmerman,* “Fully Variational CASSCF,” J. Chem. Phys. 2021154, 014105.

103. A. Carreras, H. Jiang, P. Pokhilko, A. Krylov, P. M. Zimmerman,* D. Casanova, “Calculation of spin-orbit couplings using RASCI spinless one-particle density matrices: Theory and applications,” J. Chem. Phys. 2020153, 214107.

102. C. R. Aldaz, T. J. Martinez, P. M. Zimmerman,* “The Mechanics of the Bicycle Pedal Photoisomerization in Crystalline cis,cis-1,4-diphenyl-1,3-butadiene,” J. Phys. Chem. A 2020124, 8897-8906.

101. T. Gogineni, Z. Xu, E. Punzalan, R. Jiang, J. Kammeraad, A. Tewari, P. M. Zimmerman, “TorsionNet: A Reinforcement Learning Approach to Sequential Conformer Search,” Neural Inform. Proc. Sys. 2020, accepted, arXiv: 2006.07078.