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Author : Cem Özdoǧan
Publisher :
ISBN 13 :
Total Pages : 238 pages
Book Rating : 4.:/5 (513 download)
Download or read book (O)n Parallel Tight-binding Molecular-dynamics Computer Simulation written by Cem Özdoǧan and published by . This book was released on 2002 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Stefan Goedecker
Publisher :
ISBN 13 :
Total Pages : 16 pages
Book Rating : 4.E/5 ( download)
Download or read book Tight Binding Molecular Dynamics on Parallel Computers written by Stefan Goedecker and published by . This book was released on 1994 with total page 16 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Peter Grassberger
Publisher : World Scientific
ISBN 13 : 9814493554
Total Pages : 395 pages
Book Rating : 4.8/5 (144 download)
Download or read book Molecular Dynamics On Parallel Computers written by Peter Grassberger and published by World Scientific. This book was released on 2000-02-22 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task.This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.
Author : Stefan Goedecker
Publisher :
ISBN 13 :
Total Pages : 30 pages
Book Rating : 4.E/5 ( download)
Download or read book Tight Binding Electronic Structure Calculations and Tight Binding Molecular Dynamics with Localized Orbitals written by Stefan Goedecker and published by . This book was released on 1994 with total page 30 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Giovanni Ciccotti
Publisher : MDPI
ISBN 13 : 3906980650
Total Pages : 627 pages
Book Rating : 4.9/5 (69 download)
Download or read book Molecular Dynamics Simulation written by Giovanni Ciccotti and published by MDPI. This book was released on 2018-10-08 with total page 627 pages. Available in PDF, EPUB and Kindle. Book excerpt: Printed Edition of the Special Issue Published in Entropy
Author : Peter Grassberger
Publisher : World Scientific Publishing Company
ISBN 13 : 9789810242329
Total Pages : 312 pages
Book Rating : 4.2/5 (423 download)
Download or read book Molecular Dynamics on Parallel Computers written by Peter Grassberger and published by World Scientific Publishing Company. This book was released on 2000 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task. This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.
Author : A. Borghesi
Publisher : Newnes
ISBN 13 : 044459633X
Total Pages : 580 pages
Book Rating : 4.4/5 (445 download)
Download or read book C, H, N and O in Si and Characterization and Simulation of Materials and Processes written by A. Borghesi and published by Newnes. This book was released on 2012-12-02 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt: Containing over 200 papers, this volume contains the proceedings of two symposia in the E-MRS series. Part I presents a state of the art review of the topic - Carbon, Hydrogen, Nitrogen and Oxygen in Silicon and in Other Elemental Semiconductors. There was strong representation from the industrial laboratories, illustrating that the topic is highly relevant for the semiconductor industry. The second part of the volume deals with a topic which is undergoing a process of convergence with two concerns that are more particularly application oriented. Firstly, the advanced instrumentation which, through the use of atomic force and tunnel microscopies, high resolution electron microscopy and other high precision analysis instruments, now allows for direct access to atomic mechanisms. Secondly, the technological development which in all areas of applications, particularly in the field of microelectronics and microsystems, requires as a result of the miniaturisation race, a precise mastery of the microscopic mechanisms.
Author : P鈋ter·De鈇k
Publisher : John Wiley & Sons
ISBN 13 : 9783527402908
Total Pages : 742 pages
Book Rating : 4.4/5 (29 download)
Download or read book Computer Simulation of Materials at Atomic Level written by P鈋ter·De鈇k and published by John Wiley & Sons. This book was released on 2000 with total page 742 pages. Available in PDF, EPUB and Kindle. Book excerpt: Peter Dea, Thomas Frauenheim, Mark R. Pederson (eds.) Computer Simulation of Materials at Atomic Level Combining theory and applications, this book deals with the modelling of materials properties and phenomena at atomic level. The first part provides an overview of the state-of-the-art of computational solid state physics. Emphasis is given on the understanding of approximations and their consequences regarding the accuracy of the results. This part of the book also deals as a guide to find the best method for a given purpose. The second part offers a potpourri of interesting topical applications, showing what can be achieved by computational modelling. Here the possibilities and the limits of the methods are stressed. A CD-ROM supplies various demo programmes of applications.
Author : Michael Griebel
Publisher : Springer Science & Business Media
ISBN 13 : 3540680950
Total Pages : 472 pages
Book Rating : 4.5/5 (46 download)
Download or read book Numerical Simulation in Molecular Dynamics written by Michael Griebel and published by Springer Science & Business Media. This book was released on 2007-08-16 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text offers step-by-step explanations of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn how to write programs capable of running successful experiments for molecular dynamics.
Author : Tao Pang
Publisher : Cambridge University Press
ISBN 13 : 9780521825696
Total Pages : 414 pages
Book Rating : 4.8/5 (256 download)
Download or read book An Introduction to Computational Physics written by Tao Pang and published by Cambridge University Press. This book was released on 2006-01-19 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: This advanced textbook provides an introduction to the basic methods of computational physics.
Author : Vasily Bulatov
Publisher : Oxford University Press
ISBN 13 : 0198526148
Total Pages : 301 pages
Book Rating : 4.1/5 (985 download)
Download or read book Computer Simulations of Dislocations written by Vasily Bulatov and published by Oxford University Press. This book was released on 2006-11-02 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book presents a variety of methods for computer simulations of crystal defects in the form of "numerical recipes", complete with computer codes and analysis tools. By working through numerous case studies and problems, this book provides a useful starter kit for further method development in the computational materials sciences.
Author : D.P. Landau
Publisher : Springer Science & Business Media
ISBN 13 : 9783540411901
Total Pages : 264 pages
Book Rating : 4.4/5 (119 download)
Download or read book Computer Simulation Studies in Condensed-Matter Physics XIII written by D.P. Landau and published by Springer Science & Business Media. This book was released on 2000-10-26 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: Almost fifteen years ago, because of the phenomenal growth in the power of computer simulations, The University of Georgia formed the first institu tional unit devoted to the use of simulations in research and teaching: The Center for Simulational Physics. As the international simulations community expanded further, we sensed a need for a meeting place for both experi enced simulators and neophytes to discuss new techniques and recent results in an environment which promoted extended discussion. As a consequence, the Center for Simulational Physics established an annual workshop on Re cent Developments in Computer Simulation Studies in Condensed Matter Physics. This year's workshop was the thirteenth in this series, and the con tinued interest shown by the scientific community demonstrates quite clearly the useful purpose that these meetings have served. The latest workshop was held at The University of Georgia, February 21-25, 2000, and these proceed ings provide a "status report" on a number of important topics. This volume is published with the goal of timely dissemination of the material to a wider audience. We wish to offer a special thanks to the IBM Corporation for its generous support of this year's workshop. We also acknowledge the Donors of the Petroleum Research Fund, administered by the American Chemical Society, and the National Science Foundation for partial support. This volume contains both invited papers and contributed presentations on problems in both classical and quantum condensed matter physics.
Author : Dennis C. Rapaport
Publisher :
ISBN 13 :
Total Pages : 53 pages
Book Rating : 4.:/5 (11 download)
Download or read book Large-scale Molecular Dynamics Simulation Using Vector and Parallel Computers written by Dennis C. Rapaport and published by . This book was released on 1988 with total page 53 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Karl M. Kadish
Publisher : The Electrochemical Society
ISBN 13 : 9781566770828
Total Pages : 1784 pages
Book Rating : 4.7/5 (78 download)
Download or read book Proceedings of the Symposium on Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials written by Karl M. Kadish and published by The Electrochemical Society. This book was released on 1994 with total page 1784 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Dietrich Stauffer
Publisher : World Scientific
ISBN 13 : 9789810227531
Total Pages : 408 pages
Book Rating : 4.2/5 (275 download)
Download or read book Annual Reviews of Computational Physics IV written by Dietrich Stauffer and published by World Scientific. This book was released on 1996 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum phenomena and methods are the core of this volume in our series which publishes rapidly reviews of topics in computational physics. In addition, we look at phase transitions in Ising lattices, in continuum fluids, polymer solutions, and end with biological ageing. As before, papers were submitted by e-mail, and these files were used directly to produce the book, for increased speed and reliability.
Author : Srinivasan Gopalakrishnan
Publisher : Springer Science & Business Media
ISBN 13 : 3319010328
Total Pages : 365 pages
Book Rating : 4.3/5 (19 download)
Download or read book Wave Propagation in Nanostructures written by Srinivasan Gopalakrishnan and published by Springer Science & Business Media. This book was released on 2013-09-10 with total page 365 pages. Available in PDF, EPUB and Kindle. Book excerpt: Wave Propagation in Nanostructures describes the fundamental and advanced concepts of waves propagating in structures that have dimensions of the order of nanometers. The book is fundamentally based on non-local elasticity theory, which includes scale effects in the continuum model. The book predominantly addresses wave behavior in carbon nanotubes and Graphene structures, although the methods of analysis provided in this text are equally applicable to other nanostructures. The book takes the reader from the fundamentals of wave propagation in nanotubes to more advanced topics such as rotating nanotubes, coupled nanotubes, and nanotubes with magnetic field and surface effects. The first few chapters cover the basics of wave propagation, different modeling schemes for nanostructures and introduce non-local elasticity theories, which form the building blocks for understanding the material provided in later chapters. A number of interesting examples are provided to illustrate the important features of wave behavior in these low dimensional structures.
Author : Sadasivan Shankar
Publisher : Springer Nature
ISBN 13 : 3030187780
Total Pages : 1344 pages
Book Rating : 4.0/5 (31 download)
Download or read book Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile written by Sadasivan Shankar and published by Springer Nature. This book was released on 2021-01-25 with total page 1344 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard’s work and its lasting impacts, which can be seen in today’s cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard’s seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world’s greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today’s critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand–protein binding and activation to enable the design of targeted drugs with minimal side effects.
