Glover, William - 上海纽约大学 - 计算化学联合研究中心

个人简介

MChem Oxford University 2003; Ph.D. University of California, Los Angeles 2009; Postdoctoral research at Stanford University, UCLA Titles and Affiliations 2016/05 – Present Affiliated Adjunct Professor Dept. of Chemistry, East China Normal University, Shanghai 2015/09 – Present Global Network University Associated Assistant Professor of Chemistry Dept. of Chemistry, New York University, NY, USA 2015/09 – Present Assistant Professor of Chemistry NYU Shanghai, China NYU-ECNU Center for Computational Chemistry, Shanghai, China Professional Preparation 1999/10 – 2003/06 MChem, Oxford University, 1st-class honors (summa cum laude) 2nd August 2003(Advisor: Prof. Paul A. Madden) 2003/09 – 2009/12 Ph.D, Physical chemistry, University of California, Los Angeles, 11th December 2009(Advisor: Prof. Benjamin J. Schwartz) 2010/02 – 2013/02 Postdoctoral Fellow, Stanford University (Advisor: Prof. Todd J. Martinez) 2013/02 – 2015/09 Postdoctoral Scholar, University of California, Los Angeles (Advisor: Prof. Benjamin J. Schwartz)

研究领域

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.

近期论文

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X. Jia and WJG*, “X-ray Absorption Spectrum of the Hydrated Electron” Submitted to J. Phys. Chem. Lett.(2019) B. K. Petkov, T. A. Gellen, C. A. Farfan, W. P. Carbery, B. E. Hetzler, D. Trauner, X. Li, WJG, D. J. Ulness, D. B. Turner*, “Two-Dimensional Electronic Spectroscopy Reveals the Spectral Dynamics of Förster Resonance Energy Transfer” Under Review (2018) WJG, T. Mori, M. S. Schuurman, A. E. Boguslavskiy, O. Schalk, A. Stolow, T. J. Martínez*, “Excited state nonadiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations”, J. Chem. Phys. 148, 164303 (2018) https://doi.org/10.1063/1.5018130 [Featured article] A. E. Boguslavskiy, O. Schalk, N. Gador, WJG, T. Mori, T. Schultz, M. S. Schuurman, T. J. Martínez, A. Stolow*, “Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy”, J. Chem. Phys. 148, 164302 (2018) M. A. Hagras and WJG*, “Polarizable Embedding for Excited-State Reactions: Dynamically Weighted Polarizable QM/MM”, J. Chem. Theory Comput. 14, 2137 (2018) C.-C. Zho, E. P. Farr, WJG*, B. J. Schwartz*, “Temperature Dependence of the Hydrated Electron’s ExcitedState Relaxation I: Predictions of Cavity and Non-Cavity Mixed Quantum/Classical Simulation Models”, J. Chem. Phys. 147, 074503 (2017) http://dx.doi.org/10.1063/1.4985905 WJG* and B. J. Schwartz*, “Short-range Electron Correlation Stabilizes Non-cavity Solvation of the Hydrated Electron”, J. Chem. Theory Comput. 12, 5117 (2016) J. R. Casey, B. J. Schwartz* and WJG*, “Free Energies of Cavity and Noncavity Hydrated Electrons Near the Instantaneous Air/water Interface”, J. Phys. Chem. Lett. 7, 3192 (2016) WJG*, “Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field”, J. Chem. Phys. 141, 171102 (2014) WJG, J. R. Casey and B. J. Schwartz*, “Free Energies of Quantum Particles: The Coupled-Perturbed Quantum Umbrella Sampling Method”, J. Chem. Theory Comp. 10, 4661 (2014) D. V. Makhov, WJG, T. J. Martínez* and D. V. Shalashilin*, “Ab Initio Multiple Cloning algorithm for quantum nonadiabatic molecular dynamics”, J. Chem. Phys. 141, 054110 (2014) 18. T. Kuhlman, WJG, T. Mori, K. Moller* and T. J. Martínez*, “Between Ethylenes and Polyenes – The Nonadiabatic Dynamics of cis-Dienes”, Faraday Disc. 157, 193 (2012) 17. T. Mori, WJG, M. S. Schuurman and T. J. Martínez*, “Role of Rydberg States in the Photochemical Dynamics of Ethylene”, J. Phys. Chem. A 116, 2808 (2012) 16. T. K. Allison, H. Tao, WJG, T. W. Wright, A. M. Stooke, C. Khurmi, J. van Tilborg, Y. Liu, R. W. Falcone, T. J. Martinez and A. Belkacem, “Ultrafast Internal Conversion in Ethylene. II. Mechanisms and Pathways for Quenching and Hydrogen Elimination”, J. Chem. Phys. 136, 124317 (2012) http://dx.doi.org/10.1063/1.3697760 15. WJG, R. E. Larsen and B. J. Schwartz*, “Simulating the Formation of Sodium:Electron Tight-Contact Pairs: Watching the Solvation of Atoms in Liquids One Molecule at a Time”, J. Phys. Chem. A 115, 5887 (2011) 14. R. E. Larsen, WJG and B. J. Schwartz*, "Response to Comments on 'Does the Hydrated Electron Occupy a Cavity?'” Science 331, 1387-e (2011) 13. WJG, R. E. Larsen and B. J. Schwartz*, "Nature of Sodium Atoms/(Na+,e¯) Contact Pairs in Liquid Tetrahydrofuran", J. Phys. Chem. B. 114, 11535 (2010) 12. R. E. Larsen, WJG and B. J. Schwartz*, "Does the Hydrated Electron Occupy a Cavity?", Science 329, 65 (2010) 11. A. E. Bragg, WJG and B. J. Schwartz*, "Watching the Solvation of Atoms in Liquids One Solvent Molecule at a Time", Phys. Rev. Lett. 104, 233005 (2010) 10. WJG, R. E. Larsen and B. J. Schwartz*, "First Principles Multi-electron Mixed Quantum/Classical Simulations in the Condensed Phase. II. The Charge-Transfer-to-Solvent States of Sodium Anions in Liquid Tetrahydrofuran", J. Chem. Phys. 132, 144102 (2010)