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Showing 1 - 7 of 7 matches in All Departments
Design and Applications of Nano materials for Sensors begins with an introductory contribution by the editors that: gives an overview of the present state of computational and theoretical methods for nanotechnology; outlines hot topics in this field and points to expected developments in the near future. This general introduction is followed by 15-30 review chapters by invited experts who have substantially contributed to the recent developments of nano materials for sensors. Guided by molecular and quantum theories, this contributed volume gives a broad picture of the current and past advances that were necessary to develop nano sensors using nano materials. To illustrate the important and relevant applications of nano materials, Design and Applications of Nano materials for Sensors focuses on recent advances that extend the scope of possible applications of the theory, improve the accuracy with respect to experimentation and reduce the cost of these calculations. This volume also features new applications of theoretical chemistry methods to problems of recent general interest in nanotechnology whereby large computational experiments are now necessary.
Quantum mechanics can describe the detailed structure and behavior
of matter, from electrons, atoms, and molecules, to the whole
universe. It is one of the fields of knowledge that yield
extraordinary precessions, limited only by the computational
resources available. Among these methods is density functional
theory (DFT), which permits one to solve the equations of quantum
mechanics more efficiently than with any related method.
Design and Applications of Nano materials for Sensors begins with an introductory contribution by the editors that: gives an overview of the present state of computational and theoretical methods for nanotechnology; outlines hot topics in this field and points to expected developments in the near future. This general introduction is followed by 15-30 review chapters by invited experts who have substantially contributed to the recent developments of nano materials for sensors. Guided by molecular and quantum theories, this contributed volume gives a broad picture of the current and past advances that were necessary to develop nano sensors using nano materials. To illustrate the important and relevant applications of nano materials, Design and Applications of Nano materials for Sensors focuses on recent advances that extend the scope of possible applications of the theory, improve the accuracy with respect to experimentation and reduce the cost of these calculations. This volume also features new applications of theoretical chemistry methods to problems of recent general interest in nanotechnology whereby large computational experiments are now necessary.
The aim of Molecular and Nano Electronics: Analysis, Design and
Simulation is to draw together contributions from some of the most
active researchers in this new field in order to illustrate a
theory guided-approach to the design of molecular and
nano-electronics. The field of molecular and nano-electronics has
driven solutions for a post microelectronics era, where
microelectronics dominate through the use of silicon as the
preferred material and photo-lithography as the fabrication
technique to build binary devices (transistors). The construction
of such devices yields gates that are able to perform Boolean
operations and can be combined with computational systems, capable
of storing, processing, and transmitting digital signals encoded as
electron currents and charges. Since the invention of the
integrated circuits, microelectronics has reached increasing
performances by decreasing strategically the size of its devices
and systems, an approach known as scaling-down, which
simultaneously allow the devices to operate at higher speeds.
Over the past few decades, several approaches have been developed
for designing nano-structured or molecularly-structured materials.
These advances have revolutionized practically all fields of
science and engineering, providing an additional design variable,
the feature size of the nano-structures, which can be tailored to
provide new materials with very special characteristics.
Nanomaterials: Design and Simulation explores the role that such
advances have made toward a rational design of nanostructures and
covers a variety of methods from ab initio electronic structure
techniques, ab initio molecular dynamics, to classical molecular
dynamics, also being complemented by coarse-graining and continuum
methods. Also included is an overview of how the development of
these computational tools has enabled the possibility of exploring
nanoscopic details and using such information for the prediction of
physical and chemical properties that are not always possible to be
obtained experimentally.
The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD). Features of this book: - Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD - Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers - Provides chemical reactions, interfaces, catalysis, surface phenomena and solids Although the book is not formally divided into methods and
applications, the chapters are arranged starting with those that
discuss new algorithms, methods and techniques, followed by several
important applications.
The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and properties in many areas of science and technology. A technique based on purely first principles allowing large savings in time and money greatly benefits the specialist or designer of new materials. The range of areas where DFT is applied has expanded and continues to do so. Any area where a molecular system is the center of attention can be studied using DFT.The scope of the 22 chapters in this book amply testifies to this.
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