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Computational Spectroscopy Of Molecular Dynamics Phenomena In Condensed Phase Kumulative Dissertation
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Author :Kaden Richard Alan Hazzard Publisher :Springer Science & Business Media ISBN 13 :1441981799 Total Pages :239 pages Book Rating :4.4/5 (419 download)
Book Synopsis Quantum Phase Transitions in Cold Atoms and Low Temperature Solids by : Kaden Richard Alan Hazzard
Download or read book Quantum Phase Transitions in Cold Atoms and Low Temperature Solids written by Kaden Richard Alan Hazzard and published by Springer Science & Business Media. This book was released on 2011-06-28 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: The primary focus of this thesis is to theoretically describe nanokelvin experiments in cold atomic gases, which offer the potential to revolutionize our understanding of strongly correlated many-body systems. The thesis attacks major challenges of the field: it proposes and analyzes experimental protocols to create new and interesting states of matter and introduces theoretical techniques to describe probes of these states. The phenomena considered include the fractional quantum Hall effect, spectroscopy of strongly correlated states, and quantum criticality, among others. The thesis also clarifies experiments on disordered quantum solids, which display a variety of exotic phenomena and are candidates to exhibit so-called "supersolidity." It collects experimental results and constrains their interpretation through theoretical considerations. This Doctoral Thesis has been accepted by Cornell University, Ithaca, USA.
Book Synopsis Fundamentals of Multiphase Flow by : Christopher E. Brennen
Download or read book Fundamentals of Multiphase Flow written by Christopher E. Brennen and published by Cambridge University Press. This book was released on 2005-04-18 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Publisher Description
Book Synopsis Quantum Chemistry in the Age of Machine Learning by : Pavlo O. Dral
Download or read book Quantum Chemistry in the Age of Machine Learning written by Pavlo O. Dral and published by Elsevier. This book was released on 2022-09-16 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning. Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field. - Compiles advances of machine learning in quantum chemistry across different areas into a single resource - Provides insights into the underlying concepts of machine learning techniques that are relevant to quantum chemistry - Describes, in detail, the current state-of-the-art machine learning-based methods in quantum chemistry
Book Synopsis Thermodynamics and Kinetics of Drug Binding by : György Keserü
Download or read book Thermodynamics and Kinetics of Drug Binding written by György Keserü and published by John Wiley & Sons. This book was released on 2015-08-17 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: This practical reference for medicinal and pharmaceutical chemists combines the theoretical background with modern methods as well as applications from recent lead finding and optimization projects. Divided into two parts on the thermodynamics and kinetics of drug-receptor interaction, the text provides the conceptual and methodological basis for characterizing binding mechanisms for drugs and other bioactive molecules. It covers all currently used methods, from experimental approaches, such as ITC or SPR, right up to the latest computational methods. Case studies of real-life lead or drug development projects are also included so readers can apply the methods learned to their own projects. Finally, the benefits of a thorough binding mode analysis for any drug development project are summarized in an outlook chapter written by the editors.
Book Synopsis Lecture Notes in Quantum Chemistry by : Björn O. Roos
Download or read book Lecture Notes in Quantum Chemistry written by Björn O. Roos and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 417 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Quantum Chemistry" is the course material of a European Summer School in Quantum Chemistry, organized by Bj|rn O. Roos. It consists of lectures by outstanding scientists who participate in the education of students and young scientists. The book has a wider appeal as additional reading for University courses. Contents: P.-A. Malmquist: Mathematical Tools in Quantum Chemistry J. Olsen: The Method of Second Quantization P.R. Taylor: Molecular Symmetry and Quantum Chemistry B.O. Roos: The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory P.E.M. Siegbahn: The Configuration Interaction Method T. Helgaker: Optimization of Minima and Saddle Points P.R. Taylor: Accurate Calculations and Calibration U. Wahlgren: Effective Core Potential Method
Book Synopsis Principles of Environmental Physics by : John Monteith
Download or read book Principles of Environmental Physics written by John Monteith and published by Butterworth-Heinemann. This book was released on 1990-02-15 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thoroughly revised and up-dated edition of a highly successful textbook.
Book Synopsis Machine Learning in Chemistry by : Hugh M. Cartwright
Download or read book Machine Learning in Chemistry written by Hugh M. Cartwright and published by Royal Society of Chemistry. This book was released on 2020-07-15 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.
Book Synopsis Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs by : Sumit Sharma
Download or read book Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs written by Sumit Sharma and published by Elsevier. This book was released on 2019-08-09 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs presents the three major software packages used for the molecular dynamics simulation of nanocomposites. The book explains, in detail, how to use each of these packages, also providing real-world examples that show when each should be used. The latter two of these are open-source codes which can be used for modeling at no cost. Several case studies how each software package is used to predict various properties of nanocomposites, including metal-matrix, polymer-matrix and ceramic-matrix based nanocomposites. Properties explored include mechanical, thermal, optical and electrical properties. This is the first book that explores methodologies for using Materials Studio, Lammps and Gromacs in the same place. It will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. - Gives a detailed explanation of basic commands and modules of Materials Studio, Lammps and Gromacs - Shows how Materials Studio, Lammps and Gromacs predict mechanical, thermal, electrical and optical properties of nanocomposites - Uses case studies to show which software should be used to solve a variety of nanoscale modeling problems
Book Synopsis Atomistic Simulation of Anistropic Crystal Structures at Nanoscale by : Jia Fu
Download or read book Atomistic Simulation of Anistropic Crystal Structures at Nanoscale written by Jia Fu and published by BoD – Books on Demand. This book was released on 2019-05-10 with total page 180 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale simulations of atomistic/continuum coupling in computational materials science, where the scale expands from macro-/micro- to nanoscale, has become a hot research topic. These small units, usually nanostructures, are commonly anisotropic. The development of molecular modeling tools to describe and predict the mechanical properties of structures reveals an undeniable practical importance. Typical anisotropic structures (e.g. cubic, hexagonal, monoclinic) using DFT, MD, and atomic finite element methods are especially interesting, according to the modeling requirement of upscaling structures. It therefore connects nanoscale modeling and continuous patterns of deformation behavior by identifying relevant parameters from smaller to larger scales. These methodologies have the prospect of significant applications. I would like to recommend this book to both beginners and experienced researchers.
Book Synopsis Advances in Theory and Practice of Computational Mechanics by : Lakhmi C. Jain
Download or read book Advances in Theory and Practice of Computational Mechanics written by Lakhmi C. Jain and published by Springer Nature. This book was released on 2020-03-31 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses physical and mathematical models, numerical methods, computational algorithms and software complexes, which allow high-precision mathematical modeling in fluid, gas, and plasma mechanics; general mechanics; deformable solid mechanics; and strength, destruction and safety of structures. These proceedings focus on smart technologies and software systems that provide effective solutions to real-world problems in applied mechanics at various multi-scale levels. Highlighting the training of specialists for the aviation and space industry, it is a valuable resource for experts in the field of applied mathematics and mechanics, mathematical modeling and information technologies, as well as developers of smart applied software systems.
Book Synopsis The Physics of Quantum Mechanics by : James Binney
Download or read book The Physics of Quantum Mechanics written by James Binney and published by Oxford University Press, USA. This book was released on 2013-12 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: This title gives students a good understanding of how quantum mechanics describes the material world. The text stresses the continuity between the quantum world and the classical world, which is merely an approximation to the quantum world.
Book Synopsis Advanced Organic Chemistry by : Francis A. Carey
Download or read book Advanced Organic Chemistry written by Francis A. Carey and published by Springer Science & Business Media. This book was released on 2007-06-27 with total page 1216 pages. Available in PDF, EPUB and Kindle. Book excerpt: The two-part, fifth edition of Advanced Organic Chemistry has been substantially revised and reorganized for greater clarity. The material has been updated to reflect advances in the field since the previous edition, especially in computational chemistry. Part A covers fundamental structural topics and basic mechanistic types. It can stand-alone; together, with Part B: Reaction and Synthesis, the two volumes provide a comprehensive foundation for the study in organic chemistry. Companion websites provide digital models for study of structure, reaction and selectivity for students and exercise solutions for instructors.
Download or read book Biophysics written by William Bialek and published by Princeton University Press. This book was released on 2012-12-17 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: A physicist's guide to the phenomena of life Interactions between the fields of physics and biology reach back over a century, and some of the most significant developments in biology—from the discovery of DNA's structure to imaging of the human brain—have involved collaboration across this disciplinary boundary. For a new generation of physicists, the phenomena of life pose exciting challenges to physics itself, and biophysics has emerged as an important subfield of this discipline. Here, William Bialek provides the first graduate-level introduction to biophysics aimed at physics students. Bialek begins by exploring how photon counting in vision offers important lessons about the opportunities for quantitative, physics-style experiments on diverse biological phenomena. He draws from these lessons three general physical principles—the importance of noise, the need to understand the extraordinary performance of living systems without appealing to finely tuned parameters, and the critical role of the representation and flow of information in the business of life. Bialek then applies these principles to a broad range of phenomena, including the control of gene expression, perception and memory, protein folding, the mechanics of the inner ear, the dynamics of biochemical reactions, and pattern formation in developing embryos. Featuring numerous problems and exercises throughout, Biophysics emphasizes the unifying power of abstract physical principles to motivate new and novel experiments on biological systems. Covers a range of biological phenomena from the physicist's perspective Features 200 problems Draws on statistical mechanics, quantum mechanics, and related mathematical concepts Includes an annotated bibliography and detailed appendixes
Book Synopsis Physics in Molecular Biology by : Kim Sneppen
Download or read book Physics in Molecular Biology written by Kim Sneppen and published by Cambridge University Press. This book was released on 2005-08-25 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book, first published in 2005, is a discussion for advanced physics students of how to use physics to model biological systems.
Book Synopsis Dissertation Abstracts International by :
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:
Book Synopsis Coherence Phenomena in Atoms and Molecules in Laser Fields by : Andre D Bandrauk
Download or read book Coherence Phenomena in Atoms and Molecules in Laser Fields written by Andre D Bandrauk and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 397 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains the lectures and communications presented at the NATO Advanced Research Workshop (NATO ARW 900857) which was held May 5-10, 1991 at McMaster University, Hamilton, Ontario, Canada. A scientific commitee made up of P.P. Lambropoulos (USC & Crete), P.8. Corkum (NRC, Ottawa), and H. B. vL. van den Heuvell (FOM, Amsterdam) guided the organizers, A.D. Bandrauk (Sherbrooke) and S.C. Wallace (Toronto) in preparing a programme which would cover the latest advances in the field of atom and molecule laser interactions. Since the last meeting held in July 1987 on "Atomic and Molecular Processes with Short Intense Laser Pulses", NATO ASI vol 1718 (Plenum Press 1988), considerable progress has been made in understanding high intensity effects on atoms and the concomitant coherence effects. After four years, the emphasis is now shifting more to molecules. The present volume represents therefore this trend with four sections covering the main interests of research endeavours in this area: i) Atoms in Intense Laser-Fields ii) Molecules in Intense Laser Fields iii) Atomic Coherences iv) Molecular Coherences The experience developed over the years in multiphoton atomic processes has been very useful and is the main source of our understanding of similar processes in molecules. Thus ATI (above threshold ionization) has been found to occur in molecules as well as a new phenomenon, ATD (above-threshold dissociation). Laser-induced avoided crossings of molecular electronic surfaces is also now entering the current language of high intensity molecular processes.
Book Synopsis Quantum Aspects of Life by : Derek Abbott
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.