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| David Coker is a Professor of Theoretical Chemistry at Boston University, and is the Science Foundation Ireland Stokes Professor of Nano Bio Physics at University College Dublin. He graduated with first class honors in theoretical Chemistry from Sydney University in 1981 and received his Ph.D. in Statistical Physics from the Australian National University in 1985. He has held visiting appointments at the the ENS in Lyon (CECAM Visiting Scientist, 1995), Department of Chemistry, University of Cambridge (2001), Department of Physics, University of Rome, "La Sapienza" (2003). He was an NSF Presidential Young Investigator (1990-1995), CECAM Visiting Fellow (ENS, Lyon, 1995), Schlumberger Visiting Research Professor (Univ. of Cambridge, 2001), Stokes Professor of Nano-Biophysics (UCD, 2009-2013). He has served on the Editorial Advisory Board of the Journal of Theoretical and Computational Chemistry. He is the Director of the Atlantic Center of Atomistic Modeling, and serves on the Board of Directors of CECAM, and the Scientific advisory board of the Telluride Summer Research Center. |
| Theoretical and Computational Physics and Chemistry with particular emphasis on: (1) Developing methods to treat nonadiabatic excited state quantum dynamics in complex systems (2) Developing methods to study excited state energy transfer in nano structured materials (3) Exploring the effects of quantum coherence and entanglement in nano biosystems in particular in natural and artificial photosynthetic light harvesting systems. (4) Theoretical studies of photoexcited intramolecular proton transfer reactions |
| Sponsor : Higher Education Authority (HEA) Title : PRTLI 5: SimSci - Split Accounts School of Physics Start Date / End Date : 01-MAR-11 / 29-FEB-16 |
| Sponsor : Failte Ireland Title : Failte Ireland: Conference Ambassador Support Grant Start Date / End Date : 01-MAY-11 / 29-FEB-12 |
| Sponsor : Higher Education Authority (HEA) Title : PRTLI 5: Sci Centre - WP3 ICT Start Date / End Date : 01-JAN-11 / 31-DEC-15 |
| Sponsor : Science Foundation Ireland (SFI) Title : SFI Conference & Workshop Grant 2011 Start Date / End Date : 01-MAY-11 / 29-FEB-12 |
| Sponsor : Science Foundation Ireland (SFI) Title : SFI Principal Investigator Award - Excitation Energy Transfer in Light Harvesting Nanostructures: Quantum Coherent Dynamics and Correlated Environmental Fluctuations Start Date / End Date : 01-JAN-11 / 31-DEC-15 |
| Sponsor : Enterprise Ireland (EI) Title : FP7 Proposal Preparation Coordinator Support - Marie Curie ITN Start Date / End Date : 19-NOV-10 / 26-JAN-11 |
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| Sponsor : European Science Foundation (ESF) Title : Atlantic Centre for Atomistic Modelling Workshop Series - Quantum transport and dynamics in materials and Biosystems: From Molecular mechanisms to mesoscopic functionality Start Date / End Date : 01-MAY-10 / 31-DEC-10 |
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| Sponsor : European Science Foundation (ESF) Title : Atlantic Centre for Atomistic Modelling Workshop Series - Theoretical, Computational, and Experimental Challenges to Exploring Coherent Quantum Dynamics in Complex Many-Body Systems Start Date / End Date : 09-MAY-10 / 09-AUG-10 |
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| Sponsor : European Science Foundation (ESF) Title : Atlantic Centre for Atomistic Modelling Workshop Series - Dynamic coarse graining: Towards quantitative mesoscale modelling of complex fluids Start Date / End Date : 19-MAY-10 / 30-JUN-10 |
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| Sponsor : European Science Foundation (ESF) Title : Atlantic Centre for Atomistic Modelling Workshop Series - Clathrate Hydrates Start Date / End Date : 06-MAY-10 / 05-AUG-10 |
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| Sponsor : European Science Foundation (ESF) Title : Atlantic Centre for Atomistic Modelling Workshop Series - Simulation and Experiments on Materials for Hydrogen Storage Start Date / End Date : 11-OCT-10 / 10-JAN-11 |
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| Sponsor : Science Foundation Ireland (SFI) Title : Atlantic Centre for Atomistic Modelling (ACAM) Workshop Series Start Date / End Date : 01-MAY-10 / 30-JUN-11 |
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| Sponsor : University College Dublin (UCD) Title : Start Up Funds Start Date / End Date : 01-MAR-09 / 28-FEB-11 |
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| Sponsor : Science Foundation Ireland (SFI) Title : Atlantic Centre for Atomistic Modelling Workshop Series: Bridging Simulation, Experiment and Industrial Application in Biology and Advanced Materials. Start Date / End Date : 05-APR-09 / 31-MAY-10 |
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| P. Huo and D.F. Coker (2012) 'Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation'. The Journal of chemical physics, . [Details] |
| P. Huo and D.F. Coker (2012) 'Semi-Classical Path Integral Nonadiabatic Dynamics: A Partial Linearized Classical Mapping Hamiltonian Approach'. Molecular Physics, 110 . [Details] |
| P. Huo and D.F. Coker; (2012) 'Influence of environment induced correlated fluctuations in electronic coupling on coherent excitation energy transfer dynamics in model photosynthetic systems'. The Journal of chemical physics, 136 . [Details] |
| Y.P. Tambouret and D.F. Coker; (2012) 'Theoretical study of back proton transfer in 3-hydroxyflavone'. The Journal of chemical physics, . [Details] |
| M. Bellucci and D.F. Coker; (2012) 'Molecular dynamics of excited state intramolecular proton transfer: 3-hydroxyflavone in solution'. The Journal of chemical physics, 136 . [Details] |
| Huo, PF,Coker, DF; (2011) 'Theoretical Study of Coherent Excitation Energy Transfer in Cryptophyte Phycocyanin 645 at Physiological Temperature'. Journal of Physical Chemistry, 2 :825-833. [DOI] [Details] | |||||||||
| Bellucci, MA,Coker, DF; (2011) 'Empirical valence bond models for reactive potential energy surfaces: A parallel multilevel genetic program approach'. The Journal of chemical physics, 135 . [DOI] [Details] | |||||||||
| C.J. Margulis, H.V.R. Annapureddy, P. de Biase, D.F. Coker, J. Kohanoff and M. del Popolo; (2011) 'Excess Electrons in Room-Temperature Ionic Liquids'. Journal of the American Chemical Society, 133 . [DOI] [Details] | |||||||||
| J. Moix, J Wu, P. Huo, D.F. Coker and J. Cao; (2011) 'Influence of the eight bacteriochlorophyll on the energy transfer efficiency in FMO'. Journal of Physical Chemistry, . [Details] | |||||||||
| P. Huo and D.F. Coker; (2011) 'Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution'. The Journal of chemical physics, 135 . [Details] | |||||||||
| Huo, P,Coker, DF; (2010) 'Iterative linearized density matrix propagation for modeling coherent excitation energy transfer in photosynthetic light harvesting'. The Journal of chemical physics, 133 . [DOI] [Details] | |||||||||
| Huo, P,Bonella, S,Chen, L,Coker, DF; (2010) 'Linearized approximations for condensed phase non-adiabatic dynamics: Multi-layered baths and Brownian dynamics implementation'. Chemical Physics, 370 :87-97. [DOI] [Details] | |||||||||
| Peng, J., Castonguay, T.C., Coker, D.F. and Ziegler, L.D.; (2009) 'Ultrafast H_2 and D_2 rotational Raman responses in near critical CO_2: An experimental and theoretical study of anisotropic solvation dynamics'. JOURNAL OF CHEMICAL PHYSICS, 131 . [Details] | |||||||||
| Ma, Z. and Coker, D.F.; (2008) 'Quantum initial condition sampling for linearized density matrix dynamics: Vibrational pure dephasing of iodine in krypton matrices'. JOURNAL OF CHEMICAL PHYSICS, 128 . [Details] | |||||||||
| Dunkel, E., Bonella, S. and Coker, D.F.; (2008) 'Iterative linearized approach to non-adiabatic dynamics'. JOURNAL OF CHEMICAL PHYSICS, 129 . [Details] | |||||||||
Cubero, D.,Quirke, N.,Coker, D. F.; (2003) 'Electronic transport in disordered n-alkanes: From fluid methane to amorphous polyethylene'. Journal of Chemical Physics, 119 (5):2669-2679.  [Details] |
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| Cubero, D.,Quirke, N.,Coker, D. F.; (2003) 'Electronic states for excess electrons in polyethylene compared to long-chain alkanes'. Chemical Physics Letters, 370 (1-2):21-25. [Details] |
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| Coker, D.F., Chen, L., Huo, P. and Bonella, S.; (2009) 'Exploring the linearized approximation for condensed phase non-adiabatic dynamics: Multi-layered baths' In: Shalashilin, D.V. and de Miranda, M.P (eds). Multidimensional Quantum Mechanics with Trajectories. Daresbury: CCP6, Daresbury Laboratory, 2009. [Details] |
| S. Bonella, D. F. Coker, D. MacKernan, R. Kapral and G. Ciccotti; (2009) 'Trajectory Based Simulations of Quantum-Classical Systems' In: Irene Burghardt, V. May, David A. Micha and E. R. Bittner (eds). Energy Transfer Dynamics in Biomaterial Systems. Berlin Heidelberg: Springer. [DOI] [Details] |
| DF Coker ; (2012) International conference in honor on Professor William H. Miller's 70th birthday. [Invited Lecture], Conference on quantum molecular dynamics, Univ. of California, Berkeley , 09-JAN-12 - 12-JAN-12. |
| DF Coker; (2012) Invited presentation in symposium on Quantum Transport and Coherence. [Invited Lecture], 52nd Sanibel Symposium, St. Simons Island, GA, U.S.A , 19-FEB-12 - 24-FEB-12. |
| DF Coker; (2012) Symposium on Nonadiabatic Dynamics: Surface Hopping and Beyond. [Chaired Session], 243th National Meeting of the American Chemical Society, San Diego, California, USA , 25-MAR-12 - 29-MAR-12. |
| DF Coker; (2012) invited workshop lecture. [Invited Lecture], CECAM International Workshop on High dimensional quantum dynamics: challenges and opportunities, Birmingham, UK , 11-APR-12 - 13-APR-12. |
| DF Coker; (2012) TSRC international workshop. [Invited Lecture], New Challenges for Theory in Chemical Dynamics, Telluride, Colorado , 02-JAN-12 - 05-JAN-12. |
| DF Coker; (2012) TSRC Workshop. [Invited Lecture], Condensed Phase Dynamics, Telluride, Colorado , 25-JUN-12 - 29-JUN-12. | |||||||||
| D.F. Coker; (2011) Modeling coherent excitation energy transfer in photosynthetic light harvesting. [Invited Lecture], Greater Boston Area Theoretical Chemical Lecture Series, MIT, Boston, MA, U.S.A , 09-FEB-11 - 09-FEB-11. | |||||||||
| D.F. Coker; (2011) Invited Plenary Lecture. [Plenary Lecture], SIMBIOMA 2011Conference, Molecular Simulations in Biosystems and Material Science, Konstanz, Germany , 26-SEP-11 - 29-SEP-11. | |||||||||
| D.F. Coker; (2011) Invited Plenary Lecture. [Plenary Lecture], UNESCO Natural Sciences Sector Conference TOWARDS GLOBAL ARTIFICIAL PHOTOSYNTHESIS Energy, Nanochemistry & Governance, Lord Howe Island, Australia , 14-AUG-11 - 17-AUG-11. | |||||||||
| D.F. Coker; (2011) Invited Plenary Lecture. [Plenary Lecture], CCP5 Methods in Molecular Simulation Summer School, Queens University, Belfast , 17-JUL-11 - 26-JUL-11. | |||||||||
| D.F. Coker; (2011) Invited CECAM Workshop Presentation. [Invited Oral Presentation], Spectroscopy and Quantum Phenomena in Large Molecular Aggregates, Breman Center for Computational Materials Science, Breman, Germany , 27-JUN-11 - 01-JUL-11. | |||||||||
| D.F. Coker; (2011) Invited CECAM Workshop Presentation. [Invited Oral Presentation], Modeling natural and artificial photosynthesis, Lorentz Center, Leiden, Netherlands , 07-MAR-11 - 11-MAR-11. | |||||||||
| D.F. Coker; (2011) Lecture Titled Modeling coherent excitation energy transfer in photosynthetic light harvesting. [Invited Lecture], Freiburg Institute of Advanced Studies The Quantum Efficiency Seminar and Colloquium, Freiburg Institute of Advanced Studies, University of Freiburg , 01-FEB-11 - 02-FEB-11. | |||||||||
| D.F. Coker; (2011) COST workshop presentation titled Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution. [Invited Oral Presentation], Madrid Workshop on Open Quantum Systems, Madrid, Spain , 04-OCT-11 - 04-OCT-11. | |||||||||
| D.F. Coker; (2011) CUNY Workshop. [Invited Lecture], Miniworkshop Presentation: Control and simulation of complex quantum dynamical processes, New York, NY U.S.A , 10-FEB-11 - 10-FEB-11. | |||||||||
| D.F. Coker; (2010) symposium on Quantum Coherence and its Control in Condensed Phases. [Invited Oral Presentation], 2010 Pacifichem Conference, Waikiki, Hawaii, U.S.A , 15-DEC-10 - 17-DEC-10. | |||||||||
| D.F. Coker; (2010) CECAM workshop on Adiabatic and non-adiabatic methods in quantum dynamics. [Invited Oral Presentation], CECAM workshop on Adiabatic and non-adiabatic methods in quantum dynamics, CECAM Headquarters, EPFL, Lausanne, Switzerland , 01-NOV-10 - 03-NOV-11. | |||||||||
| D.F. Coker; (2010) symposium on Frontiers of Condensed Phase Theory and Simulation. [Invited Oral Presentation], National Meeting of the American Chemical Society, Boston, MA, U.S.A , 22-AUG-10 - 25-AUG-10. | |||||||||
| D.F. Coker; (2010) Telluride Summer Research Conference. [Invited Oral Presentation], Condensed Phase Dynamics, Telluride, Colorado , 19-JUL-10 - 23-JUL-10. | |||||||||
| D.F. Coker; (2010) CCP6 workshop on Quantum Trajectories. [Invited Oral Presentation], CCP6 workshop on Quantum Trajectories, Bangor, Wales, U.K , 12-JUL-10 - 14-JUL-10. | |||||||||
| D.F. Coker; (2010) conference titled ``Coherence and Decoherence in Molecular Processes''. [Invited Lecture], Canadian Society for Chemistry (CSC) Conference, Toronto, Canada , 29-MAY-10 - 02-JUN-10. | |||||||||
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