Download or read book Dissertation Abstracts International written by and published by . This book was released on 2007 with total page 924 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.

Download or read book Charge and Energy Transfer Dynamics in Molecular Systems written by Volkhard May and published by John Wiley & Sons. This book was released on 2011-04-27 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: This 3rd edition has been expanded and updated to account for recent developments, while new illustrative examples as well as an enlarged reference list have also been added. It naturally retains the successful concept of its predecessors in presenting a unified perspective on molecular charge and energy transfer processes, thus bridging the regimes of coherent and dissipative dynamics, and establishing a connection between classic rate theories and modern treatments of ultrafast phenomena. Among the new topics are: - Time-dependent density functional theory - Heterogeneous electron transfer, e.g. between molecules and metal or semiconductor surfaces - Current flows through a single molecule. While serving as an introduction for graduate students and researchers, this is equally must-have reading for theoreticians and experimentalists, as well as an aid to interpreting experimental data and accessing the original literature.

Download or read book Organic Optoelectronic Materials written by Yongfang Li and published by Springer. This book was released on 2015-05-30 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume reviews the latest trends in organic optoelectronic materials. Each comprehensive chapter allows graduate students and newcomers to the field to grasp the basics, whilst also ensuring that they have the most up-to-date overview of the latest research. Topics include: organic conductors and semiconductors; conducting polymers and conjugated polymer semiconductors, as well as their applications in organic field-effect-transistors; organic light-emitting diodes; and organic photovoltaics and transparent conducting electrodes. The molecular structures, synthesis methods, physicochemical and optoelectronic properties of the organic optoelectronic materials are also introduced and described in detail. The authors also elucidate the structures and working mechanisms of organic optoelectronic devices and outline fundamental scientific problems and future research directions. This volume is invaluable to all those interested in organic optoelectronic materials.

Download or read book Dynamics of Molecular Collisions written by W. Miller and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: Activity in any theoretical area is usually stimulated by new experimental techniques and the resulting opportunity of measuring phenomena that were previously inaccessible. Such has been the case in the area under consideration he re beginning about fifteen years aga when the possibility of studying chemical reactions in crossed molecular beams captured the imagination of physical chemists, for one could imagine investigating chemical kinetics at the same level of molecular detail that had previously been possible only in spectroscopic investigations of molecular stucture. This created an interest among chemists in scattering theory, the molecular level description of a bimolecular collision process. Many other new and also powerful experimental techniques have evolved to supplement the molecular be am method, and the resulting wealth of new information about chemical dynamics has generated the present intense activity in molecular collision theory. During the early years when chemists were first becoming acquainted with scattering theory, it was mainly a matter of reading the physics literature because scattering experiments have long been the staple of that field. It was natural to apply the approximations and models that had been developed for nuclear and elementary particle physics, and although some of them were useful in describing molecular collision phenomena, many were not.

Download or read book Intermolecular and Surface Forces written by Jacob N. Israelachvili and published by Academic Press. This book was released on 2011-07-22 with total page 708 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intermolecular and Surface Forces describes the role of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids and solids, with a special focus on more complex colloidal, polymeric and biological systems. The book provides a thorough foundation in theories and concepts of intermolecular forces, allowing researchers and students to recognize which forces are important in any particular system, as well as how to control these forces. This third edition is expanded into three sections and contains five new chapters over the previous edition. - Starts from the basics and builds up to more complex systems - Covers all aspects of intermolecular and interparticle forces both at the fundamental and applied levels - Multidisciplinary approach: bringing together and unifying phenomena from different fields - This new edition has an expanded Part III and new chapters on non-equilibrium (dynamic) interactions, and tribology (friction forces)

Download or read book Light Harvesting in Photosynthesis written by Roberta Croce and published by CRC Press. This book was released on 2018-01-12 with total page 778 pages. Available in PDF, EPUB and Kindle. Book excerpt: This landmark collective work introduces the physical, chemical, and biological principles underlying photosynthesis: light absorption, excitation energy transfer, and charge separation. It begins with an introduction to properties of various pigments, and the pigment proteins in plant, algae, and bacterial systems. It addresses the underlying physics of light harvesting and key spectroscopic methods, including data analysis. It discusses assembly of the natural system, its energy transfer properties, and regulatory mechanisms. It also addresses light-harvesting in artificial systems and the impact of photosynthesis on our environment. The chapter authors are amongst the field’s world recognized experts. Chapters are divided into five main parts, the first focused on pigments, their properties and biosynthesis, and the second section looking at photosynthetic proteins, including light harvesting in higher plants, algae, cyanobacteria, and green bacteria. The third part turns to energy transfer and electron transport, discussing modeling approaches, quantum aspects, photoinduced electron transfer, and redox potential modulation, followed by a section on experimental spectroscopy in light harvesting research. The concluding final section includes chapters on artificial photosynthesis, with topics such as use of cyanobacteria and algae for sustainable energy production. Robert Croce is Head of the Biophysics Group and full professor in biophysics of photosynthesis/energy at Vrije Universiteit, Amsterdam. Rienk van Grondelle is full professor at Vrije Universiteit, Amsterdam. Herbert van Amerongen is full professor of biophysics in the Department of Agrotechnology and Food Sciences at Wageningen University, where he is also director of the MicroSpectroscopy Research Facility. Ivo van Stokkum is associate professor in the Department of Physics and Astronomy, Faculty of Sciences, at Vrije Universiteit, Amsterdam.

Download or read book Physics at Surfaces written by Andrew Zangwill and published by Cambridge University Press. This book was released on 1988-03-24 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physics at Surfaces is a unique graduate-level introduction to the physics and chemical physics of solid surfaces, and atoms and molecules that interact with solid surfaces. A subject of keen scientific inquiry since the last century, surface physics emerged as an independent discipline only in the late 1960s as a result of the development of ultra-high vacuum technology and high speed digital computers. With these tools, reliable experimental measurements and theoretical calculations could at last be compared. Progress in the last decade has been truly striking. This volume provides a synthesis of the entire field of surface physics from the perspective of a modern condensed matter physicist with a healthy interest in chemical physics. The exposition intertwines experiment and theory whenever possible, although there is little detailed discussion of technique. This much-needed text will be invaluable to graduate students and researchers in condensed matter physics, physical chemistry and materials science working in, or taking graduate courses in, surface science.

Download or read book Applied Photochemistry written by Rachel C. Evans and published by Springer Science & Business Media. This book was released on 2014-07-08 with total page 619 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applied Photochemistry encompasses the major applications of the chemical effects resulting from light absorption by atoms and molecules in chemistry, physics, medicine and engineering, and contains contributions from specialists in these key areas. Particular emphasis is placed both on how photochemistry contributes to these disciplines and on what the current developments are. The book starts with a general description of the interaction between light and matter, which provides the general background to photochemistry for non-specialists. The following chapters develop the general synthetic and mechanistic aspects of photochemistry as applied to both organic and inorganic materials, together with types of materials which are useful as light absorbers, emitters, sensitisers, etc. for a wide variety of applications. A detailed discussion is presented on the photochemical processes occurring in the Earth’s atmosphere, including discussion of important current aspects such as ozone depletion. Two important distinct, but interconnected, applications of photochemistry are in photocatalytic treatment of wastes and in solar energy conversion. Semiconductor photochemistry plays an important role in these and is discussed with reference to both of these areas. Free radicals and reactive oxygen species are of major importance in many chemical, biological and medical applications of photochemistry, and are discussed in depth. The following chapters discuss the relevance of using light in medicine, both with various types of phototherapy and in medical diagnostics. The development of optical sensors and probes is closely related to diagnostics, but is also relevant to many other applications, and is discussed separately. Important aspects of applied photochemistry in electronics and imaging, through processes such as photolithography, are discussed and it is shown how this is allowing the increasing miniaturisation of semiconductor devices for a wide variety of electronics applications and the development of nanometer scale devices. The final two chapters provide the basic ideas necessary to set up a photochemical laboratory and to characterise excited states. This book is aimed at those in science, engineering and medicine who are interested in applying photochemistry in a broad spectrum of areas. Each chapter has the basic theories and methods for its particular applications and directs the reader to the current, important literature in the field, making Applied Photochemistry suitable for both the novice and the experienced photochemist.

Download or read book Quantum Aspects of Life written by Derek Abbott and published by World Scientific. This book was released on 2008 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: A quantum origin of life? -- Quantum mechanics and emergence -- Quantum coherence and the search for the first replicator -- Ultrafast quantum dynamics in photosynthesis -- Modelling quantum decoherence in biomolecules -- Molecular evolution -- Memory depends on the cytoskeleton, but is it quantum? -- Quantum metabolism and allometric scaling relations in biology -- Spectroscopy of the genetic code -- Towards understanding the origin of genetic languages -- Can arbitrary quantum systems undergo self-replication? -- A semi-quantum version of the game of life -- Evolutionary stability in quantum games -- Quantum transmemetic intelligence -- Dreams versus reality : plenary debate session on quantum computing -- Plenary debate: quantum effects in biology : trivial or not? -- Nontrivial quantum effects in biology : a skeptical physicists' view -- That's life! : the geometry of p electron clouds.

Download or read book Single Molecule Spectroscopy written by R. Rigler and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: The topics range from single molecule experiments in quantum optics and solid-state physics to analogous investigations in physical chemistry and biophysics.

Download or read book Amber 2021 written by David A. Case and published by University of California, San Francisco. This book was released on 2021-06-13 with total page 959 pages. Available in PDF, EPUB and Kindle. Book excerpt: Amber is the collective name for a suite of programs that allow users to carry out molecular dynamics simulations, particularly on biomolecules. None of the individual programs carries this name, but the various parts work reasonably well together, and provide a powerful framework for many common calculations. The term Amber is also used to refer to the empirical force fields that are implemented here. It should be recognized, however, that the code and force field are separate: several other computer packages have implemented the Amber force fields, and other force fields can be implemented with the Amber programs. Further, the force fields are in the public domain, whereas the codes are distributed under a license agreement. The Amber software suite is divided into two parts: AmberTools21, a collection of freely available programs mostly under the GPL license, and Amber20, which is centered around the pmemd simulation program, and which continues to be licensed as before, under a more restrictive license. Amber20 represents a significant change from the most recent previous version, Amber18. (We have moved to numbering Amber releases by the last two digits of the calendar year, so there are no odd-numbered versions.) Please see https://ambermd.org for an overview of the most important changes. AmberTools is a set of programs for biomolecular simulation and analysis. They are designed to work well with each other, and with the “regular” Amber suite of programs. You can perform many simulation tasks with AmberTools, and you can do more extensive simulations with the combination of AmberTools and Amber itself. Most components of AmberTools are released under the GNU General Public License (GPL). A few components are in the public domain or have other open-source licenses. See the README file for more information.

Download or read book Clusters and Nanomaterials written by Y. Kawazoe and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 351 pages. Available in PDF, EPUB and Kindle. Book excerpt: Synthesizing specific clusters as a component of useful nanostructures or controlling them as an assembly of nanocomposites is the ultimate aim. In order to understand how to synthesize individual clusters or to investigate its properties, a variety of first-principles and empirical calculations and related computer simulations have been performed alongside numerous experiments.

Download or read book Self Assembled Nanostructures written by Jin Zhang and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 327 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanostructures refer to materials that have relevant dimensions on the nanometer length scales and reside in the mesoscopic regime between isolated atoms and molecules in bulk matter. These materials have unique physical properties that are distinctly different from bulk materials. Self-Assembled Nanostructures provides systematic coverage of basic nanomaterials science including materials assembly and synthesis, characterization, and application. Suitable for both beginners and experts, it balances the chemistry aspects of nanomaterials with physical principles. It also highlights nanomaterial-based architectures including assembled or self-assembled systems. Filled with in-depth discussion of important applications of nano-architectures as well as potential applications ranging from physical to chemical and biological systems, Self-Assembled Nanostructures is the essential reference or text for scientists involved with nanostructures.

Download or read book Molecular Modeling and Simulation written by Tamar Schlick and published by Springer Science & Business Media. This book was released on 2013-04-18 with total page 669 pages. Available in PDF, EPUB and Kindle. Book excerpt: Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text

Download or read book Chemistry in Action Making Molecular Movies with Ultrafast Electron Diffraction and Data Science written by Lai Chung Liu and published by Springer Nature. This book was released on 2020-09-10 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: The thesis provides the necessary experimental and analytical tools to unambiguously observe the atomically resolved chemical reactions. A great challenge of modern science has been to directly observe atomic motions during structural transitions, and while this was first achieved through a major advance in electron source brightness, the information content was still limited and new methods for image reconstruction using femtosecond electron diffraction methods were needed. One particular challenge lay in reconciling the innumerable possible nuclear configurations with the observation of chemical reaction mechanisms that reproducibly give the same kind of chemistry for large classes of molecules. The author shows that there is a simple solution that occurs during barrier crossing in which the highly anharmonic potential at that point in nuclear rearrangements couples high- and low-frequency vibrational modes to give highly localized nuclear motions, reducing hundreds of potential degrees of freedom to just a few key modes. Specific examples are given in this thesis, including two photoinduced phase transitions in an organic system, a ring closure reaction, and two direct observations of nuclear reorganization driven by spin transitions. The emerging field of structural dynamics promises to change the way we think about the physics of chemistry and this thesis provides tools to make it happen.

Download or read book Molecular and Cellular Biophysics written by Meyer B. Jackson and published by Cambridge University Press. This book was released on 2006-01-12 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular and Cellular Biophysics provides advanced undergraduate and graduate students with a foundation in the basic concepts of biophysics. Students who have taken physical chemistry and calculus courses will find this book an accessible and valuable aid in learning how these concepts can be used in biological research. The text provides a rigorous treatment of the fundamental theories in biophysics and illustrates their application with examples. Conformational transitions of proteins are studied first using thermodynamics, and subsequently with kinetics. Allosteric theory is developed as the synthesis of conformational transitions and association reactions. Basic ideas of thermodynamics and kinetics are applied to topics such as protein folding, enzyme catalysis and ion channel permeation. These concepts are then used as the building blocks in a treatment of membrane excitability. Through these examples, students will gain an understanding of the general importance and broad applicability of biophysical principles to biological problems.