Welcome to the Zimmerman Research Group webpage. Our group specializes in the development and application of first principles methods to solar and catalysis challenges. Please see the above links for specific descriptions of our ongoing work. Also feel free to contact Dr. Zimmerman at paulzim.at.umich.edu with any questions.

Recent Publications

1. P. M. Zimmerman, A. R. Molina, P. Smereka, “Orbitals with Intermediate Localization and Low Coupling: Spanning the Gap between Canonical and Localized Orbitals,” Journal of Chemical Physics, in press (2015).

2. A. J. Nett, W. Zhao, P. M. Zimmerman, J. Montgomery, “Highly Active Nickel Catalysts for C−H Functionalization Identified through Analysis of Off-Cycle Intermediates,” Journal of the American Chemical Society, 137, 7636, 7639 (2015).

3. P. M. Zimmerman, “Navigating Molecular Space for Reaction Mechanisms: An Efficient, Automated Procedures,” Molecular Simulation, 41, 43-54 (2015).

4. P. M. Zimmerman, “Single-Ended Transition State Finding with the Growing String Method,” Journal of Computational Chemistry, 36, 601-611 (2015).

5. Z. Sun, G. A. Winschel, P. M. Zimmerman, P. Nagorny, “Enantioselective Synthesis of Piperidines through the Formation of Chiral Mixed Phosphoric Acid Acetals: Experimental and Theoretical Studies,” Angewandte Chemie International Edition, 53, 11194-11198 (2014).