Energy Transfer Dynamics in Biomaterial Systems

by Burghardt, Irene; May, Volkhard; Micha, David A.; Bittner, Eric R.

• ISBN13: 9783642023057
• ISBN10: 3642023053
• Format: Hardcover
• Copyright: 2009-10-01
• Publisher: Springer Verlag

Summary

This book presents a collection of 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 the quantum dynamics of excitation energy transfer, e.g., in DNA and light-harvesting systems, part II addresses molecular electronics and quantum transport in organic materials, and part III illustrates new theoretical and computational approaches. 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 systems.

Table of Contents

Excitation Energy Transfer in Complex Molecular and Biological Systems
Electronic Energy Transfer in Photosynthetic Antenna Systems	p. 3
Mixed Quantum Classical Simulations of Electronic Excitation Energy Transfer and Related Optical Spectra: Supramolecular Pheophorbide-a Complexes in Solution	p. 35
Conformational Structure and Dynamics from Single-Molecule FRET	p. 73
The Many Facets of DNA
Quantum Mechanics in Biology: Photoexcitations in DNA	p. 103
Energy Flow in DNA Duplexes	p. 127
Anharmonic Vibrational Dynamics of DNA Oligomers	p. 143
Simulation Study of the Molecular Mechanism of Intercalation of the Anti-Cancer Drug Daunomycin into DNA	p. 165
Quantum Dynamics and Transport at Interfaces and Junctions
Ultrafast Photophysics of Organic Semiconductor Junctions	p. 183
Green Function Techniques in the Treatment of Quantum Transport at the Molecular Scale	p. 213
New Methods for Open Systems Dynamics
Time-Local Quantum Master Equations and their Applications to Dissipative Dynamics and Molecular Wires	p. 339
Reduced Density Matrix Equations for Combined Instantaneous and Delayed Dissipation in Many-Atom Systems, and their Numerical Treatment	p. 363
New Methods for Mixing Quantum and Classical Mechanics
Quantum Dynamics in Almost Classical Environments	p. 383
Trajectory Based Simulations of Quantum-Classical Systems	p. 415
Do We Have a Consistent Non-Adiabatic Quantum-Classical Statistical Mechanics?	p. 437
Index	p. 469
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