Theoretical and Physical Chemistry
BS, University of Oklahoma, 2008
PhD, Iowa State University, 2014
Assistant Professor, University of Missouri-Columbia, 2018-Present
Postdoctoral Associate, University of Illinois-Urbana Champaign 2014-2018
The Brorsen group is a computational/theoretical group that seeks to apply and develop new quantum mechanical methods for a better understanding of (i) nuclear quantum effects, (ii) multireference or strongly correlated systems, such as chemical species containing transition metal, and (iii) dynamical systems, such as systems undergoing a chemical reaction. Please visit our group website for more information.
Yang, Y.; Brorsen, K.R.; Pak, M.V.; Culpitt, T.; Hammes-Schiffer, S. Development of a Practical Multicomponent Density Functional for Electron-Proton Correlation to Produce Accurate Proton Densities. J. Chem. Phys. 2017, 147 (11), 114113
Brorsen, K.R.; Yang, Y.; Hammes-Schiffer, S. Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries. J. Phys. Chem. Lett. 2017, 8 (15), 3488-3493.
Brorsen, K. R.; Yang, Y.; Pak, M.V.; Hammes-Schiffer, S. Is the Accuracy of Density Functional Theory for Atomization Energies and Densities in Bonding Regions Correlated? J. Phys. Chem. Lett. 2017, 8 (9), 2076-2081. Science Magazine Editors’ Choice Article
Brorsen, K. R.; Zahariev, F.; Nakata, H.; Fedorov, D. G.; Gordon, M. S. Analytic Gradient for Density Functional Theory Based on the Fragment Molecular Orbital Method. J. Chem. Theory Comput. 2014, 10 (12), 5297-5307.