My research focuses on using electronic structure theory to accurately model chemical bonding, spectroscopy, and magnetic properties in actinide systems.
Relativistic quantum chemistry
X-ray spectroscopy
Heavy element chemistry
Education
Ph.D., Chemistry
University of Washington
B.A., Chemistry and Mathematics
Taylor University
Positions
2021 - Present | G. T. Seaborg Postdoctoral Fellow
2021 - 2021 | Postdoctoral Research Associate
Awards
University of Washington Department of Chemistry: Scott, Amy & Stephen C. Alley Endowed Graduate Fellowship, 2019
Honorable Mention in National Science Foundation Gradute Research Fellowship Program, 2017
University of Washington Clean Energy Institute DIRECT Fellow, 2016
Pacific Northwest National Laboratory-University of Washington Graduate Fellowship, 2016
Professional Societies
American Chemical Society
Publications
J. M. Kasper, T. F. Stetina, X. Li, "Ab initio methods for L-edge X-ray absorption spectroscopy", Chem. Phys. Rev., 2020, 1 (1), 011304.
T. Zhang, J. M. Kasper, X. Li, ”Localized relativistic two-component methods for ground and excited state calculations”, Annu. Rep. Comput. Chem., 2020, 16, 17-36.
J. M. Kasper, A. J. Jenksin, S. Sun, X. Li, “A perspective on Kramers symmetry breaking and restoration in relativistic electronic structure methods for open-shell systems”, J. Chem. Phys. , 2020, 153 (9), 090903.
H. Hu, A. J. Jenkins, H. Liu, J. M. Kasper, M. J. Frisch, X. Li, “Relativistic two-component multi- reference configuration interaction method with tunable correlation space”, J. Chem. Theor. Comput. , 2020, 16 (5), 2975-2984.
J. M. Kasper, X. Li, “Natural transition orbitals for complex two-component excited state calcula- tions”, J. Comput. Chem., 2020. 41 (16), 1557-1563.
J. M. Kasper, D. R. Gamelin, X. Li, “Theoretical investigation of quantum confinement on the Rashba effect in ZnO semiconductor nanocrystals”, J. Chem. Phys., 2020, 152 (1), 014308.
D. B. Williams-Young, A. Petrone, S. Sun, T. F. Stetina, P. Lestrange, C. E. Hoyer, D. R. Nascimento, L. Koulias, A. Wildman, J. Kasper, J. J. Goings, F. Ding, A. E. DePrince, E. F. Valeev, X. Li, “The Chronus Quantum software package”, WIREs Comput. Mol. Sci., 2019, e1436.
T. Stetina, J. M. Kasper, X. Li, “Modeling L2,3-edge X-ray absorption spectroscopy with linear response exact two-component relativistic time-dependent density functional theory”, J. Chem. Phys., 2019, 150, 234103.
A. Petrone, R. A. Beck, J. M. Kasper, X. Li, “Electronic structures and spectroscopic signatures of silicon-vacancy containing nanodiamonds”, Phys. Rev. B, 2018, 20, 205405.
