

Handbook of Theoretical and Computational Nanotechnology


10Volume
Set 

Edited by Michael Rieth and Wolfram Schommers
Forschungszentrum Karlsruhe, Germany
Foreword by Professor
PierreGilles de Gennes, Nobel Prize Laureate 


2006
ca.8,000 pages, Hardcover ISBN: 158883042X US$5975.00 


FROM
THE FOREWORD 
"Nanoscience
is fashionable. All administrations in the Western world have
stressed their interest in nanoobjects and nanotechnologies. …The
aim of the present handbook is to help us with the tools by
suitable modelizations. It is written by leading experts, starting
from general theoretical principles and progressing to detailed
recipes. …Soon after the first wave, including this handbook,
a certain form of nanoindustry may be born." Professor
PierreGilles de Gennes, Nobel Prize Laureate 
ABOUT
THIS HANDBOOK 
The
future applications of nanotechnology in hightech industries
require deep understanding of the theoretical and computational
aspects of all kinds of materials and devices at a nanometer scale.
Handbook of Theoretical and Computational Nanotechnology
is the first single reference source ever published in field that
offers such an unified approach covering all of the major topics
dealing with theory, modeling, design and simulations of
nanostructured materials and nanodevices, quantum computing,
computational chemistry, physics and biology, nanomechanics,
nanomachines, nanoelectronics, nanoprocesses, nanomagnetism,
nanooptics, nanomedicines, nanobiotechnology, etc. This 10volume
(ca. 8,000 pages) handbook provides the first ideal introduction and
an uptodate survey of the fascinating new developments and
interdisciplinary activities in the whole field presented by
scientists working in different subject areas of science,
engineering and medicine. This handbook is the most profound
publication on this topic the first treatment of the computational
nanotechnology. This outstanding handbook presented by 265 world's
leading scientists, is the most significant academic title ever
published in this research field. This handbook has been divided
into 10 thematic volumes by documenting computational treatment of
nanomaterials and nanodevices. 
CONTENTS
(10Volume
Set, ca. 8,000
pages) 
Atomic Design, Atomistic
Modeling, Quantum Computers, ab Initio Methods, Atom Nanooptics,
Computational Nanoelectronics, Computational Nanotechnology,
Molecular Devices, Molecular Machines, Nanosurfaces, BioMolecular
Motors, Molecular Motors, Molecular Dynamics, Meshfree Methods,
Density Matrix Renormalization Method, Finite Element Method,
Maxwell Solvers, Bionanotechnology, Embedded Atom Method,
TightBinding Molecular Dynamics Method, Computational Modeling,
Statistical Mechanical Modeling, LinearScaling Quantum Mechanical
Methods, EquivalentContinuum Modeling of Nanomaterials,
Selfconsistent P3M Simulation of Ion Channels, Multiscale
Simulations of Nanomaterials and Nanodevices, Hierarchical Models
of Nanomechanics and Micromechanics, Computational Nanomechanics
of Materials, Nanotribology, Adhesion, Nanoindentation, Nanoscale
Fracture Processes, Transport Phenomena, Proton and Electron
Tranfer Processes, Flow Modeling in Fullerenes and Nanotubes,
Atomistic Modeling of Nanoprous Materials, Nanothermodyanamics,
Quantum Chemistry, Computational Biology, Protein Folding,
Computational Studies of DNA and RNA, Enzymes, EnzymeMimetics,
EnzymeCatalyzed Reactions, Nanomagnetics, Medical Nanorobotics,
Biological Nanotubes, Design of proteins, Nanomedicines, Drug
Design and Delivery, Ligand Docking, Computational Models for
Genetics and Neurogenetics, NeuroGenetic Information Processing,
Nonlinear Optical Properties of Carbon Nanostructures, Optical
Properties of Nanoclusters and Semiconductor Nanostructures,
Modeling of Photonic Crystals and Nanostructures, Quantum Optics,
Theoertical Physics, Computational Micromagnetics, Magnetic
Nanomaterials and Nanodevices, SelfAssemblies, Modeling of
Polymer Nanocomposites, Carbon Nanotube Composites, Diamonds,
Fullerenes and Endofullerenes, Carbon Nanocones, Doped
Nanomaterials, Superconducting Nanostructures, Embedded Quantum
Dots and Nanowires, Molecular Wires, Nanocrystals, Computer
Simulation of Surfaces, Conjugated Organic Polymers, Monte Carlo
Simulations, Nanothermodynamics of Surfaces, Mechanical
Properties of PolymerCarbon Nanotube Composites, Single and
MultiWall Carbon Nanotubes, Ferroelectric Nanostructures,
SiliconBased Nanodevices, SingleElectron Devices and
Nanocircuits, SingleElectron Transistors, Quantum Dot Lasers,
Modeling of Nanodevices, Modeling of MEMS and NEMS, Biomechanism,
Nanomedicines, Computational Chemistry, Quantum chemistry,
Molecular Design, Nanomedicines and Nanodrugs design,
Computational methods and Simulation Techniques from ab initio to
Multiscale, Algorithms, Nanoscale Analysis of Defects, diffusion,
Cascades, and Irradiation, Nanomembranes, Nanocatalysis,
Nanometals, Polymer Nanostructures, Liquid Crystals, Nanocolloids,
Monolayer and Multilayers, Tthin Films, Nanoengineering and
Nanodesign NanoCAD, Luminescence, Computational Methods for
Simulating Quantum Computers, Wigner Function Based Device
Modeling, etc. 
10VOLUME
SET (
ca. 8,000 pages) 
Volume
1: Basic Concepts, Nanomachines and Bionanodevices 
Volume
2: Atomistic Simulations  Algorithms and Methods 
Volume
3: Quantum and Molecular Computing, and Quantum Simulations 
Volume
4: Nanomechanics and Multiscale Modeling 
Volume
5: Transport Phenomena and Nanoscale Processes 
Volume
6: Bioinformatics, Nanomedicine and Drug Delivery 
Volume
7: Magnetic Nanostructures and Nanooptics 
Volume
8: Functional Nanomaterials, Nanoparticles and Polymer
Nanostructures 
Volume
9: Nanocomposites, NanoAssemblies, and Nanosurfaces 
Volume
10: Nanodevice Modeling and Nanoelectronics 
KEY FEATURES 
 The World's first handbook ever published in
the field of theoretical and computational nanotechnology .
 The first comprehensive reference dedicated
to all disciplines of science, engineering. and medicine.
 Most uptodate reference source drawing on
the past two decades of pioneering research.
 About 140 Review chapters written by world
leading scientists familiar with the current trends of
nanotechnology.
 8,000 pages written by 265 authors from 30
countries, truly international.
 26,000 references, 4124 figures, 374 tables,
and thousands of mathematical equations and formula.
 Clearly written, selfcontained, timely,
authoritative, and most comprehensive contributions.
 Extensive crossrefereeing in each chapter
provides reader with a broader range of knowledge.
 Multidisciplinary reference source for
students, scientists, engineers, biologists, medical experts and
related professionals.

READERSHIP 
This handbook is an invaluable reference source for
scientists, engineers and biologists working in the field of
theoretical and computational nanotechnology and for individual
research groups, libraries in the universities and industrial
institutions, government, independent institutes, R&D and
defense research laboratories. The handbook is intended for a broad
audience working in the fields of quantum chemistry, physics,
biology, materials science, medicine, electrical and electronics
engineering, mechanical engineering, optical science, ceramic and
chemical engineering, device engineering, aerospace engineering,
computer science and technology, information technology,
bioinformatics, biotechnology, medical sciences, surface science,
polymer science and engineering.

ABOUT
THE EDITORS 
Dr. Michael Rieth
is a Research Scientist at the Institute of Materials Research
I(IMFI) in the Forschungszentrum Karlsruhe, Germany since 2002.
He is Head of the consulting company AIFT, Karlsruhe since 1987.
He worked as a Researcher at the Institute of Materials Research
II (IMFII), Forschungszentrum Karlsruhe from 199599 and at the
Engineering Science Department of University of Patras (Greece)
from 19992000. He was Product Manager at AMASystems, Pforzheim,
Germany from 200001. He received his M.Sc. (germ. Dipl. Ing.)
degree in Electrical Engineering from the University of Karlsruhe
in 1991 and his Ph.D. in Physics from the University of Patras
(Greece) in 2001. Dr. Rieth published 23 research articles in
refereed journals, two book chapters and four patents. He is the
author of NanoEngineering in Science and Technology (World
Scientific, 2003), and was the EditorinChief of the Journal of
Computational and Theoretical Nanoscience (20042005). His main
scientific interests are in atomistic modeling of metallic
nanosystems and materials development for advanced fusion reactor
applications.
Professor Dr.
Wolfram Schommers is a Theoretical Physicist presently
working at the Research Center of Karlruhe in Germany. He is also
Professor of Theoretical Physics, Professor of Physics and
Materials Sciences and Distinguished Professor in Europe, China
and USA. He began his studies of Theoretical Physics at the
Technical University of Munich, and continued his coursework at
the University of Münster, receiving a Diploma in Physics.
After a brief intermezzo in the industry, Prof. Schommers joined
the Research Center of Karlsruhe. He received his Ph.D. (Dr. rer.
nat.) in Theoretical Physics from the University of Karlsruhe.
Prof. Schommers' scientific activities are concentrated on
Computational and Theoretical Physics. His main fields of interest
include Foundations of Physics, Liquids, Solids and Gases,
Superionic Conductors, Surface Science, and Nanophysics as the
basis for the investigation of properties nanometerscale atomic
devices, junctions, quantum dots and nanomachines. He has
published the results of his research activities and thoughts in
various scientific journals (214 articles and book chapters). In
particular, Prof. Schommers is author and editor of the following
books: Fundamentals of Nanometer Structuring; Structure and
Dynamics of Surfaces I and II; Quantum Theory and Pictures of
Reality; The Visible and the Invisible; Das Sichtbare und das
Unsichtbare; Elemente des Lebens; What is Life?; Formen des
Kosmos; Space and Time, Matter and Mind; Symbols, Pictures and
Quantum Reality. Prof. Schommers is the EditorinChief of the
Journal of Computational and Theoretical Nanoscience
(www.aspbs.com/ctn). He is also an editorial board member of
various scientific journals, and he is the Principal
EditorinCharge of the book series Foundations of Natural Science
and Technology. He is an invited member of the Humboldt Academy,
an invited member of the Academic Board of the Humboldt Society,
and an invited member of the Advisory Board of Medical Ethics of
the 21th Century. 
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