People

Joe
Kasper
Alumni, Graduate Student
Currently:

[email protected]
311A Bagley Hall Department of Chemistry
University of Washington
Seattle, WA 98195-1700


Education


Awards

  • 2016
    Graduate Fellowship Pacific Northwest National Lab
  • 2015
    Howard J. Ringold Endowed Fellowship UW Department of Chemistry
  • 2014
    Outstanding Chemist Award Taylor University


Publications

  1. Unveiling Hidden Shake-Up Features in the Uranyl M4-Edge Spectrum
    Jordan N. Ehrman, Kirill Shumilov, Andrew J. Jenkins, Joseph M. Kasper, Tonya Vitova, Enrique R. Batista, Ping Yang, and Xiaosong Li
    JACS Au2024, 4,3, 1134-1141
  2. State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin–Orbit Coupling: Benchmark and Perspectives
    Can Liao, Joseph M. Kasper, Andrew J. Jenkins, Ping Yang, Enrique R. Batista, Michael J. Frisch, and Xiaosong Li
    JACS Au2023, 3, 358-367
  3. Relativistic Effects in Modeling the Ligand K-Edge X-ray Absorption Near-Edge Structure of Uranium Complexes
    Joseph M. Kasper, Xiaosong Li, Stosh A. Kozimor, Enrique R. Batista, and Ping Yang
    Journal of Chemical Theory and Computation2022, 18, 2171-2179
  4. Theoretical Investigation of Quantum Confinement on the Rashba Effect in ZnO Semiconductor Nanocrystals
    J. Kasper, D. Gamelin, X. Li
    J. Chem. Phys.2020, 152, 14308
  5. Ab Initio Methods for L-edge X-ray Absorption Spectroscopy
    Joseph M. Kasper, Torin F. Stetina, Andrew J. Jenkins, and Xiaosong Li
    Chem. Phys. Rev.2020, 1, 011304
  6. Perspective on Kramers Symmetry Breaking and Restoration in Relativistic Electronic Structure Methods for Open-Shell Systems
    Joseph Kasper, Andrew Jenkins, Shichao Sun, Xiaosong Li
    J. Chem. Phys.2020, 153, 090903
  7. Localized Relativistic Two-Component Methods for Ground and Excited State Calculations
    Tianyuan Zhang, Joseph M. Kasper, Xiaosong Li
    Annual Reports in Computational Chemistry2020, 16, 17-37
  8. Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space
    H. Hu, A. Jenkins, H. Liu, J. Kasper, M. Frisch, X. Li
    J. Chem. Theory Comput.2020, 15, 2975-2984
  9. The Chronus Quantum (ChronusQ) Software Package
    Williams-Young, David B and Petrone, Alessio and Sun, Shichao and Stetina, Torin F and Lestrange, Patrick and Hoyer, Chad E and Nascimento, Daniel R and Koulias, Lauren and Wildman, Andrew and Kasper, Joseph and Goings, Joshua J. and Ding, Feizhi and DePrince III, A. Eugene and Valeev, Edward F. and Li, Xiaosong
    WIREs Comput. Mol. Sci2020, 10, e1436
  10. Natural Transition Orbitals for Complex Two-Component Excited State Calculations
    J. Kasper, X. Li
    J. Comput. Chem.2020, 41, 1557-1563
  11. Variational Relativistic Two-Component Complete Active Space Self-Consistent Field Method
    A. Jenkins, H. Liu, J. Kasper, M. Frisch, X. Li
    J. Chem. Theory Comput.2019, 15, 2974–2982
  12. Modeling L2,3-Edge X-ray Absorption Spectroscopy with Linear Response Exact Two-Component Relativistic Time-Dependent Density Functional Theory
    T. F. Stetina, J. M. Kasper, X. Li
    J. Chem. Phys.2019, 150, 234103
  13. A Well-Tempered Hybrid Method for Solving Challenging TDDFT Systems
    J. M. Kasper, D. B. Williams-Young, E. Vecharynski, C. Yang, X. Li
    J. Chem. Theory Comput.2018, 14, 2034–2041
  14. Modeling L2,3-edge XAS with Real-time Exact Two-Component Relativistic Time-dependent Density Functional Theory
    J. M. Kasper, P. J. Lestrange, T. F. Stetina, X. Li
    J. Chem. Theory Comput.2018, 14, 1998-2006
  15. Effect of Surface Passivation on Nanodiamond Crystallinity
    R. Beck, A. Petrone, J. M. Kasper, M. Crane, P. Pauzauskie, X. Li
    J. Phys. Chem. C.2018, 122, 8573-8580
  16. Electronic Structures and Spectroscopic Signatures of Silicon-Vacancy Containing Nanodiamonds
    A. Petrone, R. A. Beck, J. M. Kasper, X. Li, Y. Huang, M. Crane, and P. Pauzauskie
    Phys. Rev. B.2018, 98, 205405
  17. A Model Order Reduction Algorithm for Estimating the Absorption Spectrum
    R. Van Beeumen, D. B. Williams-Young, J. M. Kasper, C. Yang, E. G. Ng, X. Li
    J. Chem. Theory Comput.2017, 13, 4950–4961
  18. Real Time Propagation of the Exact Two Component Time-Dependent Density Functional Theory
    J. J. Goings, J. Kasper, F. Egidi, S. Sun, X. Li
    J. Chem. Phys.2016, 145, 104107