Energy Transfer Dynamics in Biomaterial Systems

Energy Transfer Dynamics in Biomaterial Systems


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This book presents a collection of 14 review articles that cover the key topics addressed in the workshop Energy Flow Dynamics in Biomaterial Systems which, was held in October 2007 in Paris. These reviews illustrate the many facets of today's theoretical picture of electronic and vibronic dynamics and transport phenomena in biological, biomimetic, and molecular electronic systems. Part I focuses on excitation energy transfer in photosynthetic reaction centers and other multichromophoric systems, part II gives a tour d'horizon of DNA research, and part III addresses molecular electronics and quantum transport in organic materials. Finally, parts IV and V cover recent methodological developments in open system dynamics and hybrid quantum-classical methods. The scope of the book is deliberately broad in terms of physical systems studied and yet unified in the use of quantum dynamical methods to describe transient and often ultrafast energy and charge transfer events in complex system.

Product Details

ISBN-13: 9783642260438
Publisher: Springer Berlin Heidelberg
Publication date: 02/25/2012
Series: Springer Series in Chemical Physics , #93
Edition description: 2009
Pages: 476
Product dimensions: 6.10(w) x 9.25(h) x 0.04(d)

Table of Contents

Part I Excitation Energy Transfer in Complex Molecular and Biological Systems

Electronic Energy Transfer in Photosynthetic Antenna Systems Elisabetta Collini Carles Curutchet Tihana Mirkovic Gregory D. Scholes 3

Mixed Quantum Classical Simulations of Electronic Excitation Energy Transfer and Related Optical Spectra: Supramolecular Pheophorbide-a Complexes in Solution Hui Zhu Volkhard May 35

Conformational Structure and Dynamics from Single-Molecule FRET Eitan Geva Jianyuan Shang 73

Part II The Many Facets of DNA

Quantum Mechanics in Biology: Photoexcitations in DNA Eric R. Bittner Arkadiusz Czader 103

Energy Flow in DNA Duplexes Dimitra Markovitsi Thomas Gustavsson 127

Anharmonic Vibrational Dynamics of DNA Oligomers O. Kühn N. Doslimć G. M. Krishnan H. Fidder K. Heyne 143

Simulation Study of the Molecular Mechanism of Intercalation of the Anti-Cancer Drug Daunomycin into DNA Arnab Mukherjee Richard Lavery Biman Bagchi James T. Hynes 165

Part III Quantum Dynamics and Transport at Interfaces and Junctions

Ultrafast Photophysics of Organic Semiconductor Junctions Irene Burghardt Eric R. Bittner HirdyuH Tamura Andrey Pereverzev John Glenn S. Ramon 183

Green Function Techniques in the Treatment of Quantum Transport at the Molecular Scale D. A. Ryndyk R. Gutiéerrez B. Song G. Cuniberti 213

Part IV New Methods for Open Systems Dynamics

Time-Local Quantum Master Equations and their Applications to Dissipative Dynamics and Molecular Wires Ulrich Kleinekathöfer 339

Reduced Density Matrix Equations for Combined Instantaneous and Delayed Dissipation in Many-Atom Systems, and their Numerical Treatment David A. Micha Andrew S. Leathers363

Part V New Methods for Mixing Quantum and Classical Mechanics

Quantum Dynamics in Almost Classical Environments Robbie Grunwald Aaron Kelly Raymond Kapral 383

Trajectory Based Simulations of Quantum-Classical Systems S. Bonella D. F. Coker D. Mac Ketnan R. Kapral G. Ciccotti 415

Do We Have a Consistent Non-Adiabatic Quantum-Classical Statistical Mechanics? Giovanni Ciccotti Sergio Caprara Federica Agostini 437

Index 469

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