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.
1. P. M. Zimmerman, “Reliable Transition State Searches Integrated with the Growing String Method,” Journal of Chemical Theory and Computation, 9(7), 3043-3050 (2013).
2. P. M. Zimmerman, “Navigating Molecular Space for Reaction Mechanisms: An Efficient, Automated Procedure,” accepted, Molecular Simulation (2014).
3. P. M. Zimmerman, “Growing string method with interpolation and optimization in internal coordinates: Method and examples,” Journal of Chemical Physics, 138, 184102 (2013).
4. P. M. Zimmerman, “Automated Discovery of Chemically Reasonable Elementary Reaction Steps,” Journal of Computational Chemistry, 34(16), 1385 (2013).
5. P. M. Zimmerman, C. B. Musgrave, M. Head-Gordon, “A Correlated Electron View of Singlet Fission,” Accounts of Chemical Research, 46(6), 1339-1347 (2013).
6. P. M. Zimmerman, F. Bell, M. Goldey, A. T. Bell, M. Head-Gordon, “Restricted Active Space n-Spin-Flip Configuration Interaction: Theory and Examples from Systems with Odd Numbers of Electrons,” Journal of Chemical Physics, 137(16), 164110 (2012).
7. P. M. Zimmerman, D. Tranca, J. Gomes, D. Lambrecht, A. T. Bell, M. Head-Gordon, “Ab Initio Simulations Reveal that Reaction Dynamics Strongly Affect Product Selectivity for the Cracking of Alkanes over H-MFI,” Journal of the American Chemical Society, 134, 19468-19476 (2012).