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. Our current focus is on multicomponent methods that include nuclear quantum effects in quantum chemistry calculations by not assuming the Born-Oppenheimer approximation for these nuclei. Presently, we are interested in both multireference and many-body multicomponent methods. Other research interests include the development of machine learning-based nonadiabatic dynamics methods, novel applications of selected configuration interaction methods, and the accurate computation of the properties of small molecules relevant to astrochemistry. Please visit our group website for more information.
Fajen, O.J.; Brorsen, K.R. Multicomponent CASSCF Revisited: Large Active Spaces are Needed for Qualitatively Accurate Protonic Densities. J. Chem. Theory Comput.2021, 17, (2) 965. https://doi.org/10.1021/acs.jctc.0c01191
Ardiansyah, M.; Brorsen, K.R. Mixed Quantum-Classical Dynamics with Machine Learning-Based Potentials via Wigner Sampling. J. Phys. Chem. A2020, 24, (44) 9326. https://doi.org/10.1021/acs.jpca.0c07376
Fajen, O.J.; Brorsen, K.R. Separation of Electron-Electron Correlation and Electron-Proton Correlation in Multicomponent Orbital-Optimized Perturbation Theory. J. Chem. Phys.2020, 152, (19) 194107. https://doi.org/10.1063/5.0006743
Brorsen, K.R. Quantifying Multireference Character in Multicomponent Systems with Heat-Bath Configuration interaction. J. Chem. Theory Comput.2020, 16, (4) 2379. https://doi.org/10.1021/acs.jctc.9b01273