个人简介

B.A. Harvard University, 2000 Physics and Math (summa cum laude) Ph.D. UC Berkeley, 2006 Biophysics NSF International Research Fellow (2007 -2009), Tel-Aviv Postdoctoral Fellow, Northwestern University (2009-2010)

研究领域

Chemical Physics and Physical Chemistry/Theory Simulation and Modeling

Research in the Subotnik group focuses on the intersection of static quantum chemistry methods (especially for excited states) with nonadiabatic dynamics methods (specifically surface hopping). The focus is quantifying electron transfer, energy transfer, and electronic relaxation. Applications are to almost all photo-induced processes!

近期论文

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B. R. Landry and J. E. Subotnik. "Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical). J. Chem. Phys., 142, 104102 (2015) W. Dou, A. Nitzan, and J.E. Subotnik "Surface hopping with a manifold of electronic states. II. Application to the many- body Anderson-Holstein model" J. Chem. Phys., 142, 084110 (2015) W. Ouyang, W. Dou, and J. E. Subotnik. "Surface hopping with a manifold of electronic states. I. Incorporating surface-leaking to capture lifetimes." J. Chem. Phys., 142, 084109 (2015) Q. Ou, G. D. Bellchambers, F. Furche, and J. E. Subotnik. "First order derivative couplings between excited states from adiabatic TDDFT response theory." J. Chem. Phys., 142, 064114 (2015) J. E. Subotnik and Y. M. Rhee, " On Surface Hopping and Time-Reversal." J. Phys. Chem. A., DOI: 10.1021/jp512024w E. Alguire, J. E. Subotnik, N. Damrauer, " Exploring Non-Condon Effects in a Covalent Tetracene Dimer: How Important Are Vibrations in Determining the Electronic Coupling for Singlet Fission?" J. Phys. Chem. A.,119, 299-311 (2015) B. Veldkamp, X. Liu, M. Wasielewski, J. E. Subotnik and M. A. Ratner, "Molecular Excited States: Accurate Calculation of Relative Energies and Electronic Coupling Between Charge Transfer and Non-Charge Transfer States" J. Phys. Chem. A.,119, 253-262 (2014) Y. Shao, et al. "Advances in molecular quantum chemistry contained in the Q-Chem 4 program package" Mol. Phys. (2014) DOI:10.1080/00268976.2014.952696 A. S. Petit and J. E. Subotnik. "How to model time-dependent differential absorbance spectra with surface hopping trajectories: Applications to ultrafast pump-probe" J. Chem. Phys. 141, 154108 (2014) Landry and Subotnik. Quantifying the Lifetime of Triplet Energy Transfer Processes in Organic Chromophores: A Case Study of 4‑(2-Naphthylmethyl)benzaldehyde. J. Chem. Theory. Comp., ASAP (2014) Samanta, Beames, Lester and Subotnik. Quantum dynamical investigation of the simplest Criegee intermediate CH2OO and its O–O photodissociation channels. J. Chem. Phys., 141, 134303 (2014) Ou, Alguire, and Subotnik. Derivative Couplings between Time-Dependent Density Functional Theory Excited States in the Random-Phase Approximation Based on Pseudo-Wavefunctions: Behavior around Conical Intersections. J. Phys. Chem. B (ASAP) dx.doi.org/10.1021/jp5057682 Alguire, Ou, and Subotnik. Calculating Derivative Couplings between Time-Dependent Hartree−Fock Excited States with Pseudo-Wavefunctions. J. Phys. Chem. B (ASAP) dx.doi.org/10.1021/jp505767b Ou, Fatehi, Alguire, Shao and Subotnik. Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation. J. Chem. Phys. 141, 024114 (2014) Petit and Subotnik. How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: A simple generalization of ground-state Kubo theory. J. Chem. Phys, 141, 014107 (2014) Ouyang and Subotnik. Estimating the entropy and quantifying the impurity of a swarm of surface-hopping trajectories: A new perspective on decoherence. J. Chem. Phys. 140, 204102 (2014) Falk, Landry and Subotnik. Can Surface Hopping sans Decoherence Recover Marcus Theory? Understanding the Role of Friction in a Surface Hopping View of Electron Transfer. J. Phys. Chem. B, (2014) dx.doi.org/10.1021/jp5011346 Liu and Subotnik. The Variationally Orbital-Adapted Configuration Interaction Singles (VOA-CIS) Approach to Electronically Excited States. J. Chem. Theor. Comp., 10, 1004-1020 (2014) Alguire, Fatehi, Shao and Subotnik. Analysis of Localized Diabatic States beyond the Condon Approximation for Excitation Energy-Transfer Processes. J. Phys. Chem. A, 2013 Landry, Falk, and Subotnik. The correct interpretation of surface hopping trajectories: How to calculate electronic Properties. J. Chem. Phys. (Communications) 139, 211101 (2013) Subotnik, Ouyang and Landry. Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence. J. Chem. Phys. 139, 214107 (2013)