Read Books Online and Download eBooks, EPub, PDF, Mobi, Kindle, Text Full Free.
Real Space Finite Difference Paw Method For Large Scale Applications On Massively Parallel Computers
Download Real Space Finite Difference Paw Method For Large Scale Applications On Massively Parallel Computers full books in PDF, epub, and Kindle. Read online Real Space Finite Difference Paw Method For Large Scale Applications On Massively Parallel Computers ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Book Synopsis Real-space Finite-difference PAW Method for Large-scale Applications on Massively Parallel Computers by : Paul Ferdinand Baumeister
Download or read book Real-space Finite-difference PAW Method for Large-scale Applications on Massively Parallel Computers written by Paul Ferdinand Baumeister and published by Forschungszentrum Jülich. This book was released on 2012 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Euro-Par 2016: Parallel Processing by : Pierre-François Dutot
Download or read book Euro-Par 2016: Parallel Processing written by Pierre-François Dutot and published by Springer. This book was released on 2016-08-10 with total page 699 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the refereed proceedings of the 22nd International Conference on Parallel and Distributed Computing, Euro-Par 2016, held in Grenoble, France, in August 2016. The 47 revised full papers presented together with 2 invited papers and one industrial paper were carefully reviewed and selected from 176 submissions. The papers are organized in 12 topical sections: Support Tools and Environments; Performance and Power Modeling, Prediction and Evaluation; Scheduling and Load Balancing; High Performance Architectures and Compilers; Parallel and Distributed Data Management and Analytics; Cluster and Cloud Computing; Distributed Systems and Algorithms; Parallel and Distributed Programming, Interfaces, Languages; Multicore and Manycore Parallelism; Theory and Algorithms for Parallel Computation and Networking; Parallel Numerical Methods and Applications; Accelerator Computing.
Book Synopsis Solutions of Exercises in “An Introduction to Dynamics of Colloids” by : Jan K. G. Dhont
Download or read book Solutions of Exercises in “An Introduction to Dynamics of Colloids” written by Jan K. G. Dhont and published by Forschungszentrum Jülich. This book was released on 2013 with total page 155 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Heyd-Scuseria-Ernzerhof Screened-exchange Hybrid Functional for Complex Materials by : Martin Schlipf
Download or read book Heyd-Scuseria-Ernzerhof Screened-exchange Hybrid Functional for Complex Materials written by Martin Schlipf and published by Forschungszentrum Jülich. This book was released on 2013 with total page 193 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structural Influences on Electrical Transport in Nanostructures by : Robert Dietrich Frielinghaus
Download or read book Structural Influences on Electrical Transport in Nanostructures written by Robert Dietrich Frielinghaus and published by Forschungszentrum Jülich. This book was released on 2013 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structure, Magnetism and Excitations in Some Mn-based Magnetocaloric Effect Compounds by : Michael Gottschlich
Download or read book Structure, Magnetism and Excitations in Some Mn-based Magnetocaloric Effect Compounds written by Michael Gottschlich and published by Forschungszentrum Jülich. This book was released on 2013 with total page 185 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Interplay Between Magnetic and Dielectric Phenomena at Transition Metal Oxide Interfaces by : Daniel Schumacher
Download or read book Interplay Between Magnetic and Dielectric Phenomena at Transition Metal Oxide Interfaces written by Daniel Schumacher and published by Forschungszentrum Jülich. This book was released on 2013 with total page 142 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Study of Intermolecular Interactions in Hetero-organic Thin Films by : Benjamin Stadtmüller
Download or read book Study of Intermolecular Interactions in Hetero-organic Thin Films written by Benjamin Stadtmüller and published by Forschungszentrum Jülich. This book was released on 2013 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Advances in the Theory of Quantum Systems in Chemistry and Physics by : Philip E. Hoggan
Download or read book Advances in the Theory of Quantum Systems in Chemistry and Physics written by Philip E. Hoggan and published by Springer Science & Business Media. This book was released on 2011-11-16 with total page 630 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010. This volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in chemistry, physics, and biology. The breadth and depth of the scientific topics discussed during QSCP-XV are gathered in seven sections: I. Fundamental Theory; II. Model Atoms; III. Atoms and Molecules with Exponential-Type Orbitals; IV. Density-Oriented Methods; V. Dynamics and Quantum Monte-Carlo Methodology; VI. Structure and Reactivity; VII. Complex Systems, Solids, Biophysics. Advances in the Theory of Quantum Systems in Chemistry and Physics is written for research students and professionals in Quantum systems of chemistry and physics. It also constitutes and invaluable guide for those wishing to familiarize themselves with research perspectives in the domain of quantum systems for thematic conversion or simply to gain insight into the methodological developments and applications to physics chemistry and biology that have actually become feasible by the end of 2010.
Book Synopsis Density Functional Theory by : David S. Sholl
Download or read book Density Functional Theory written by David S. Sholl and published by John Wiley & Sons. This book was released on 2011-09-20 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.
Book Synopsis Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems by : David D. O'Regan
Download or read book Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems written by David D. O'Regan and published by Springer Science & Business Media. This book was released on 2011-09-24 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density functional theory (DFT) has become the standard workhorse for quantum mechanical simulations as it offers a good compromise between accuracy and computational cost. However, there are many important systems for which DFT performs very poorly, most notably strongly-correlated materials, resulting in a significant recent growth in interest in 'beyond DFT' methods. The widely used DFT+U technique, in particular, involves the addition of explicit Coulomb repulsion terms to reproduce the physics of spatially-localised electronic subspaces. The magnitude of these corrective terms, measured by the famous Hubbard U parameter, has received much attention but less so for the projections used to delineate these subspaces. The dependence on the choice of these projections is studied in detail here and a method to overcome this ambiguity in DFT+U, by self-consistently determining the projections, is introduced. The author shows how nonorthogonal representations for electronic states may be used to construct these projections and, furthermore, how DFT+U may be implemented with a linearly increasing cost with respect to system size. The use of nonorthogonal functions in the context of electronic structure calculations is extensively discussed and clarified, with new interpretations and results, and, on this topic, this work may serve as a reference for future workers in the field.
Book Synopsis Time-Dependent Density-Functional Theory by : Carsten Ullrich
Download or read book Time-Dependent Density-Functional Theory written by Carsten Ullrich and published by Oxford University Press. This book was released on 2012 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.
Author :Frederick P. Brooks (Jr.) Publisher :Reading, Mass. ; Don Mills, Ont. : Addison-Wesley Publishing Company ISBN 13 : Total Pages :216 pages Book Rating :4.4/5 (91 download)
Book Synopsis The Mythical Man-month by : Frederick P. Brooks (Jr.)
Download or read book The Mythical Man-month written by Frederick P. Brooks (Jr.) and published by Reading, Mass. ; Don Mills, Ont. : Addison-Wesley Publishing Company. This book was released on 1975 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: The orderly Sweet-Williams are dismayed at their son's fondness for the messy pastime of gardening.
Book Synopsis Fundamentals of Time-Dependent Density Functional Theory by : Miguel A.L. Marques
Download or read book Fundamentals of Time-Dependent Density Functional Theory written by Miguel A.L. Marques and published by Springer Science & Business Media. This book was released on 2012-01-21 with total page 559 pages. Available in PDF, EPUB and Kindle. Book excerpt: There have been many significant advances in time-dependent density functional theory over recent years, both in enlightening the fundamental theoretical basis of the theory, as well as in computational algorithms and applications. This book, as successor to the highly successful volume Time-Dependent Density Functional Theory (Lect. Notes Phys. 706, 2006) brings together for the first time all recent developments in a systematic and coherent way. First, a thorough pedagogical presentation of the fundamental theory is given, clarifying aspects of the original proofs and theorems, as well as presenting fresh developments that extend the theory into new realms—such as alternative proofs of the original Runge-Gross theorem, open quantum systems, and dispersion forces to name but a few. Next, all of the basic concepts are introduced sequentially and building in complexity, eventually reaching the level of open problems of interest. Contemporary applications of the theory are discussed, from real-time coupled-electron-ion dynamics, to excited-state dynamics and molecular transport. Last but not least, the authors introduce and review recent advances in computational implementation, including massively parallel architectures and graphical processing units. Special care has been taken in editing this volume as a multi-author textbook, following a coherent line of thought, and making all the relevant connections between chapters and concepts consistent throughout. As such it will prove to be the text of reference in this field, both for beginners as well as expert researchers and lecturers teaching advanced quantum mechanical methods to model complex physical systems, from molecules to nanostructures, from biocomplexes to surfaces, solids and liquids. From the reviews of LNP 706: “This is a well structured text, with a common set of notations and a single comprehensive and up-to-date list of references, rather than just a compilation of research articles. Because of its clear organization, the book can be used by novices (basic knowledge of ground-state DFT is assumed) and experienced users of TD-DFT, as well as developers in the field.” (Anna I. Krylov, Journal of the American Chemical Society, Vol. 129 (21), 2007) “This book is a treasure of knowledge and I highly recommend it. Although it is a compilation of chapters written by many different leading researchers involved in development and application of TDDFT, the contributors have taken great care to make sure the book is pedagogically sound and the chapters complement each other [...]. It is highly accessible to any graduate student of chemistry or physics with a solid grounding in many-particle quantum mechanics, wishing to understand both the fundamental theory as well as the exponentially growing number of applications. [...] In any case, no matter what your background is, it is a must-read and an excellent reference to have on your shelf.” Amazon.com, October 15, 2008, David Tempel (Cambridge, MA)
Book Synopsis First-principles Calculations in Real-space Formalism by : Kikuji Hirose
Download or read book First-principles Calculations in Real-space Formalism written by Kikuji Hirose and published by World Scientific. This book was released on 2005 with total page 265 pages. Available in PDF, EPUB and Kindle. Book excerpt: With cutting-edge materials and minute electronic devices being produced by the latest nanoscale fabrication technology, it is essential for scientists and engineers to rely on first-principles (ab initio) calculation methods to fully understand the electronic configurations and transport properties of nanostructures. It is now imperative to introduce practical and tractable calculation methods that accurately describe the physics in nanostructures suspended between electrodes.This timely volume addresses novel methods for calculating electronic transport properties using real-space formalisms free from geometrical restrictions. The book comprises two parts: The first details the basic formalism of the real-space finite-difference method and its applications. This provides the theoretical foundation for the second part of the book, which presents the methods for calculating the properties of electronic transport through nanostructures sandwiched by semi-infinite electrodes.
Download or read book Code written by Charles Petzold and published by Microsoft Press. This book was released on 2022-08-02 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: The classic guide to how computers work, updated with new chapters and interactive graphics "For me, Code was a revelation. It was the first book about programming that spoke to me. It started with a story, and it built up, layer by layer, analogy by analogy, until I understood not just the Code, but the System. Code is a book that is as much about Systems Thinking and abstractions as it is about code and programming. Code teaches us how many unseen layers there are between the computer systems that we as users look at every day and the magical silicon rocks that we infused with lightning and taught to think." - Scott Hanselman, Partner Program Director, Microsoft, and host of Hanselminutes Computers are everywhere, most obviously in our laptops and smartphones, but also our cars, televisions, microwave ovens, alarm clocks, robot vacuum cleaners, and other smart appliances. Have you ever wondered what goes on inside these devices to make our lives easier but occasionally more infuriating? For more than 20 years, readers have delighted in Charles Petzold's illuminating story of the secret inner life of computers, and now he has revised it for this new age of computing. Cleverly illustrated and easy to understand, this is the book that cracks the mystery. You'll discover what flashlights, black cats, seesaws, and the ride of Paul Revere can teach you about computing, and how human ingenuity and our compulsion to communicate have shaped every electronic device we use. This new expanded edition explores more deeply the bit-by-bit and gate-by-gate construction of the heart of every smart device, the central processing unit that combines the simplest of basic operations to perform the most complex of feats. Petzold's companion website, CodeHiddenLanguage.com, uses animated graphics of key circuits in the book to make computers even easier to comprehend. In addition to substantially revised and updated content, new chapters include: Chapter 18: Let's Build a Clock! Chapter 21: The Arithmetic Logic Unit Chapter 22: Registers and Busses Chapter 23: CPU Control Signals Chapter 24: Jumps, Loops, and Calls Chapter 28: The World Brain From the simple ticking of clocks to the worldwide hum of the internet, Code reveals the essence of the digital revolution.
Book Synopsis Reviews in Computational Chemistry, Volume 21 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 21 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2005-05-06 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. TOPICS COVERED IN Volume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATE CHEMISTRY; MOLECULAR QUANTUM SIMILARITY; ENUMERATING MOLECULES; VARIABLE SELECTION; BIOMOLECULAR APPLICATIONS OF POISSON-BOLTZMANN METHODS; AND DATA SOURCES AND COMPUTATIONAL APPROACHES FOR GENERATING MODELS OF GENE REGULATORY NETWORKS. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." --JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." --JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
