Otto Fajen
- Program Year: 3
- Academic Institution: Stanford University
- Field of Study: Computational Chemistry
- Academic Advisor: Todd Martinez
- Practicum(s):
Los Alamos National Laboratory (2024) - Degree(s):
B.S. Chemistry, University of Missouri, 2021
Publications
Rungthanaphatsophon, P., Fajen, O. J., Kelley, S. P., Walensky, J. R. Thorium(IV) and Uranium(IV) Phosphaazaallenes. Inorganics. 2019, 7, 105.Fajen, O.J., Brorsen, K.R. Separation of electron-electron and electron-proton correlation in multicomponent orbital-optimized perturbation theory. J. Chem. Phys. 2020, 152, 194107.
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, 965.
Tarlton, M.L., Fajen, O.J., Kelley, S.P., Kerridge, A., Malcomson, T., Morrison, T.L., Shores, M.P., Xhani, X., Walensky, J.R. Systematic investigation of the molecular and electronic structure of thorium and uranium phosphorous and arsenic complexes. Inorg. Chem. 2021, 60, 10614.
Fajen, O.J., Brorsen, K.R. Multicomponent MP4 and the inclusion of triple excitations in multicomponent many-body methods. J. Chem. Phys. 2021, 155, 234108.
Kjonstad, E.F., Fajen, O.J., Paul, A.C., Angelico, S., Mayer, D., Guehr, M., Wolf, T.J.A., Martinez, T.J., Koch, H. Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory. Nature Communications. 2024, 15, 10128.
Hait, D., Lahana, D., Fajen, O.J., Paz, A.S.P., Unzueta, P.A., Rana, B., Lu, L., Wang, Y., Kjonstad, E.F., Koch, H., Martinez, T.J. Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning. J. Chem. Phys. 2024, 160, 244101.
Wang, Y., Hait, D., Johnson, K.G., Fajen, O.J., Zhang, J.H., Guerrero, R.D., Martinez, T.J. Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications. J. Chem. Phys. 2024, 161, 174118.
Awards
National Merit Scholar, 2018Summer Stephen's Fellow (University of Missouri Department of Chemistry), 2018
University of Missouri Honors College Discovery Fellow, 2018-20
University of Minnesota Chemical Theory Center Summer Undergraduate Research Fellowship, 2020
Goldwater Scholar, 2020