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Excess Electrons in Dielectric Media
This book provides a comprehensive review of the present knowledge and current problems concerning physical-chemical aspects of the behavior of excess electrons in various media. The book's 13 chapters strike a balance between theoretical and experimental accounts and provide in-depth presentations of specific subjects. Among the several topics discussed in this stimulating volume are primary interactions, transport, and relaxation of excess electrons of a few tens of electron-Volts in various solid and liquid materials; energetics and transport properties of electrons after thermalization in non-polar dielectric liquids; quantum simulation methods; and electron solvation in polar liquids an...
Ultrafast Dynamics at the Nanoscale
Ultrafast Dynamics at the Nanoscale provides a combined experimental and theoretical insight into the molecular-level investigation of light-induced quantum processes in biological systems and nanostructured (bio)assemblies. Topics include DNA photostability and repair, photoactive proteins, biological and artificial light-harvesting systems, plasmonic nanostructures, and organic photovoltaic materials, whose common denominator is the key importance of ultrafast quantum effects at the border between the molecular scale and the nanoscale. The functionality and control of these systems have been under intense investigation in recent years in view of developing a detailed understanding of ultra...
Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1
This comprehensive collection of lectures by leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1 is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. Volume 2 is a collection of state-of-the-art surveys on numerical experiments carried out for a great number of systems.
Innovations in Biomolecular Modeling and Simulations
This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.
Directory of Graduate Research
Faculties, publications and doctoral theses in departments or divisions of chemistry, chemical engineering, biochemistry and pharmaceutical and/or medicinal chemistry at universities in the United States and Canada.
Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics
The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
