William Glover

William Glover
Co-Director of the NYU-ECNU Center for Computational Chemistry, Graduate Coordinator of Chemistry, Associate Professor of Chemistry, NYU Shanghai; Global Network Associate Professor, Department of Chemistry, Faculty of Arts and Science, NYU
Email
wjg3@nyu.edu
Room
E622
William Glover is the Co-Director of the NYU-ECNU Center for Computational Chemistry, Graduate Coordinator of Chemistry, and an Associate Professor of Chemistry at NYU Shanghai. Additionally, he serves as a Global Network Associate Professor in the Department of Chemistry at NYU. He completed an MChem at Oxford University and received a PhD from the University of California, Los Angeles, followed by holding postdoctoral positions at UCLA and Stanford University.
 
William leads a research group interested in developing atomistic descriptions of light-initiated chemistry in complex environments. The general strategy is to build up understanding from isolated molecules to macromolecules and aggregates while making direct connection to experiment by computing observables relevant to ultrafast spectroscopy. A particular area of interest is understanding and mitigating damage of biological molecules by UV and ionizing radiation, which tends to occur via a rich array of competing reaction pathways. To tackle the inherent complexity of these systems, the group develops and employs state-of-the-art graphical processing unit (GPU)-based quantum chemistry, machine learning, and multi-scale modeling methods. Their work has been published in leading academic journals, including Nature Communications, the Journal of the American Chemical Society, and the Journal of Physical Chemistry Letters. William was awarded the Spring 2023 ACS OpenEye Outstanding Junior Faculty Award in Computational Chemistry.
 

Select Publications

  • A. Humeniuk*, W. J. Glover*, “Multistate, polarizable QM/MM embedding scheme based on the direct reaction field method: Solvatochromic shifts, analytical gradients and optimizations of conical intersections in solution”, J. Chem. Theory Comput. 20, 2111-2126 (2024) doi.org/10.1021/acs.jctc.3c01018
  • Y. Bai, L. Vogt-Maranto, M. E. Tuckerman, W. J. Glover*, “Machine learning the Hohenberg-Kohn map to molecular excited states”, Nat. Commun. 13, 7044 (2022) doi.org/10.1038/s41467-022-34436-w
  • X. Li, X. Jia, A. S. P. Paz, Y. Cao, W. J. Glover*, “Evidence for water antibonding orbital mixing in the hydrated electron from its oxygen 1s X-ray absorption spectrum”, J. Am. Chem. Soc. 144, 19668-19672 (2022) doi.org/10.1021/jacs.2c07572
  • Z. Shen, S. Peng, W. J. Glover*, “Flexible boundary layer using exchange for embedding theories. II. QM/MM dynamics of the hydrated electron”, J. Chem. Phys. 155, 224113 (2021) doi.org/10.1063/5.0067861
  • Z. Shen, W. J. Glover*, “Flexible boundary layer using exchange for embedding theories. I. Theory and implementation”, J. Chem. Phys. 155, 224112 (2021) doi.org/10.1063/5.0067855

 

Education

  • Postdoctoral Research at UCLA, Stanford University
  • PhD, Physical Chemistry
    University of California, Los Angeles
  • MChem
    Oxford University
Research Interests
  • Theoretical and Computational Photochemistry and Photobiology
Courses Taught
  • Computational Chemistry
  • Foundations of Chemistry I
  • Foundations of Chemistry II
  • Independent Study – Chemistry
  • Computational Chemistry (Graduate)
  • Physical Chemistry: Thermodynamics & Kinetics