People

Patrick
Lestrange
Alumni, Graduate Student
Currently: Data Scientist at Boeing

Patrick Lestrange portrait
[email protected]


Education


Awards

  • 2017
    Chemical Computing Group Research Excellence AwardAmerican Chemical Society
  • 2016
    Independent Study FellowshipScan|Design Foundation
  • 2016
    Alma Mater Travel AwardUW Department of Chemistry
  • 2015
    Graduate Student Travel AwardUW Clean Energy Institute
  • 2015
    Graduate Student FellowshipUW Clean Energy Institute
  • 2015
    Graduate Student Merit FellowshipUW Department of Chemistry
  • 2014
    Graduate Student Travel AwardUW Graduate School Fund for Excellence and Innovation
  • 2014
    Graduate Research Fellowship Honorable MentionNational Science Foundation
  • 2013
    Graduate Research Fellowship Honorable MentionNational Science Foundation
  • 2012
    Benton Seymour Rabinovitch Endowed Fellowship in ChemistryUW Department of Chemistry


Publications

  1. Interplays of Electron and Nuclear Motions along CO Dissociation Trajectory in Myoglobin Revealed by Ultrafast X-rays and Quantum Dynamics Calculations
    Megan L. Shelby, Andrew Wildman, Dugan Hayes, Michael W. Mara, Patrick J. Lestrange, Marco Cammarata, Lodovico Balducci, Maxim Artamonov, Henrik T. Lemke, Diling Zhu, Tamar Seideman, Brian M. Hoffman, Xiaosong Li, and Lin X. Chen
    Proceedings of the National Academy of Sciences of the United States of America2021, 118, e2018966118
  2. 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
  3. 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
  4. An Efficient Implementation of Variation After Projection Generalized Hartree-Fock
    P. Lestrange, D. B. Williams-Young, C. Jimenez-Hoyos, X. Li
    J. Chem. Theory Comput.2018, 14, 588−596
  5. Real-Time Time-dependent Electronic Structure Theory
    J. J. Goings, P. J. Lestrange, X. Li
    WIREs Comput. Mol. Sci.2018, e1341
  6. Time-dependent Configuration Interaction using the Graphical Unitary Group Approach: Nonlinear Electric Properties
    P. J. Lestrange, M. R. Hoffmann, X. Li
    Adv. Quantum Chem.2018, 76, 295-313
  7. Can Excited State Electronic Coherence be Tuned via Molecular Structural Modification? A First-Principles Quantum Electronic Dynamics Study of Pyrazolate-Bridged Pt(II) Dimers
    D. B. Lingerfelt, P. J. Lestrange, J. J. Radler, S. E. Brown-Xu, P. Kim, F. N. Castellano, L. X. Chen, X. Li
    J. Phys. Chem. A2017, 121, 1932-1939
  8. Imaging Ultrafast Excited State Pathways in Transition Metal Complexes by X-ray Transient Absorption and Scattering using X-ray Free Electron Laser Source
    L. X. Chen, M. L. Shelby, P. J. Lestrange, N. E. Jackson, K. Haldrup, M. W. Mara, A. B. Stickrath, D. Zhu, H. Lemke, M. Chollet, B. M. Hoffman, X. Li
    Farad. Discuss.2016, 194, 639-658
  9. Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy
    M. L. Shelby, P. J. Lestrange, N. E. Jackson, K. Haldrup, M. W. Mara, A. B. Stickrath, D. Zhu, H. Lemke, B. M. Hoffman, X. Li, L. X. Chen
    J. Am. Chem. Soc.2016, 138, 8752
  10. The Consequences of Improperly Describing Oscillator Strengths Beyond the Electric Dipole Approximation
    P. J. Lestrange, F. Egidi, X. Li
    J. Chem. Phys.2015, 143, 234103
  11. Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy
    B. Peng, P. J. Lestrange, J. J. Goings, M. Caricato, X. Li
    J. Chem. Theory Comput.2015, 11, 4146
  12. Calibration of Energy-Specific TDDFT for Modeling K-edge XAS Spectra of Light Elements
    P. J. Lestrange, P. D. Nguyen, X. Li
    J. Chem. Theory Comput.2015, 11, 2994
  13. Density of States Guided Møller-Plesset Perturbation Theory
    P. J. Lestrange, B. Peng, F. Ding, G. W. Trucks, M. J. Frisch, X. Li
    J. Chem. Theory Comput.2014, 10, 1910