Associate Director, NYU-ECNU Center for Computational Chemistry at NYU Shanghai
Assistant Professor of Chemistry at NYU Shanghai
Global Network University Associated Assistant Professor, Department of Chemistry, NYU
Pudong Campus: Room 1262-3, 1555 Century Avenue Road, NYU Shanghai
Zhongbei Campus: Room 248, Geography Building, 3663 Zhongshan Road North
MChem Oxford University 2003; Ph.D. University of California, Los Angeles 2009; Postdoctoral research at Stanford University, UCLA
Areas of Research/Interest
Theoretical and Computational Photochemistry and Biophysics.
William Glover’s group is interested in developing an atomistic description of light-initiated chemistry in complex environments. The general strategy is to build up understanding from isolated molecules to large biomolecules while making direct connection to experiment by computing observables relevant to ultrafast spectroscopy. A particular area of interest is the damage of biological molecules by UV and ionizing radiation, which tends to occur via a rich array of competing reaction pathways. For example, it is well known that ionizing radiation damages DNA, but this can occur via direct channels (electronic excitation of the nucleic acids) and indirect pathways such as attack from free radicals like the hydrated electron. To tackle the inherent complexity of these systems we employ state-of-the-art graphical processing unit (GPU)-based computational chemistry and multi-physics modeling.
- Hagras, M. A. and Glover, W. J. Polarizable embedding for excited-state reactions: Dynamically weighted polarizable QM/MM. J. Chem. Theory Comput. 14, 2137-2144 (2018)
- Glover, W. J. and Schwartz, B. J. Short-range electron correlation stabilizes non-cavity solvation of the hydrated electron. J. Chem. Theory Comput. 12, 5117–5131 (2016)
- Glover, W. J. Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field. J. Chem. Phys. 141, 171102 (2014)
- Glover, W. J., Casey, J. R., and Schwartz, B. J. Free energies of quantum particles: The coupled-perturbed quantum umbrella sampling method. J. Chem. Theory Comput. 10, 4661-4671 (2014)
- Larsen, R. E., Glover, W. J., Schwartz, B. J. Does the hydrated electron occupy a cavity? Science. 329, 65-69 (2010)