个人简介

B.Sc. Hons. I, University of Sydney, 1981 Ph.D., Australian National University, 1986 Postdoctoral Fellow, Columbia University, 1985

研究领域

Theoretical Chemistry/Physical Chemistry

A fundamental goal of chemistry research is to understand how to control chemical reactions to most efficiently give desired products. The Coker Group uses and develops new theoretical and computational methods to explore how electronic and vibrational excitation of reactant molecules in different environments can influence the outcome of chemical reactions of these molecules. Because electronic and vibrational relaxation of excited reactants is fundamentally quantum mechanical in nature, the methods they use must accurately describe the transfer of energy between the classical environment and the quantal reactive system.

近期论文

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"Single Electron States in Polyethylene.", Y. Wang, D. MacKernan, D. Cubero, and D.F. Coker, submitted to J. Chem. Phys. (2013) "Intramolecular Contributions to the Spectral Density of Light Harvesting Complexes", M. Masia, E. Rivera, D. Montemayor, D.A. Murray, and D.F. Coker, in preparation for submission to J. Chem. Phys. (2013) "Excitation Energy Transfer in Biological Light Harvesting Systems", P. Huo and D.F. Coker Springer Book Chapter (March, 2013) "Communication: Predictive Partial Linearized Path Integral Simulation of Condensed Phase Electron Transfer Dynamics", P. Huo, T.F. Miller III, and D.F. Coker, submitted to J. Chem. Phys. 139, 151103 (2013) "Influence of Site Dependent Pigment-Protein Interactions on Excitation Energy Transfer in Photosynthetic Light Harvesting", E. Rivera, D. Montemayor, M. Masia, and D.F. Coker J.Phys.Chem. 117, 55105521 (2013) P. Huo and D.F. Coker J. Chem. Phys. 137, 22A535 (2012) "Molecular Dynamics of Excited State Intramolecular Proton Transfer: 3-hydroxyflavone in Solution", M. Bellucci and D.F. Coker J. Chem. Phys. 136, 194505 (2012) "Semi-Classical Path Integral Nonadiabatic Dynamics: A Partial Linearized Classical Mapping Hamiltonian Approach", P. Huo and D.F. Coker Mol. Phys. 110, 1035 (2012) "Influence of Environment Induced Correlation Fluctuations in Electronic Coupling on Coherent Excitation Energy Transfer Dynamics in Model Photosynthetic Systems", P. Huo and D.F. Coker J. Chem. Phys. 136, 115102 (2012) J. Moix, J. Wu, P. Huo, D.F. Coker, and J. Cao J. Phys. Chem. Letts. 2, 3045 (2011) "Excess Electrons in Room-Temperature Ionic Liquids", C.J. Margulis, H.V.R. Annapureddy, P. de Base, D.F. Coker, J. Kohanoff, M. del Popolo JACS 133, 20186 (2011) "Partial Linearized Density Matrix Dynamics for Dissipative, Non-adiabatic Quantum Evolution", P. Huo and D.F. Coker J. Chem. Phys. 135, 20101 (2011) "Empirical Valence Bond Models for Reactive Potential Energy Surfaces: A Parallel Multilevel Genetic Program Approach", M.A. Bellucci and D.F. Coker J. Chem. Phys. 135, 044115 (2011) "Theoretical Study of Coherent Excitation Energy Transfer in Cryptophyte Phycocyanin 645 at Physiological Temperature", P. Huo and D.F. Coker J. Phys. Chem. Letts. 2, 825 (2011) "Iterative Linearized Density Matrix Propagation for Modeling Coherent Excitation Energy Transfer in Photosynthetic Light Harvesting Systems", P. Huo and D.F. Coker J. Chem. Phys. 133, 184108 (2010) "Linearized Approximations for Condensed Phase Non-Adiabatic Dynamics: Multi-layered Baths and Browninan Dynamics Implementation", P. Huo, S. Bonella, L. Chen, and D.F. Coker Chem. Phys. 370, 87 (2010)