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Molecular Dynamics Simulations Of Self Assembled Monolayers Sam On Parallel Computers
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Book Synopsis Molecular-dynamics Simulations of Self-assembled Monolayers (SAM) on Parallel Computers by : Satyavani Vemparala
Download or read book Molecular-dynamics Simulations of Self-assembled Monolayers (SAM) on Parallel Computers written by Satyavani Vemparala and published by . This book was released on 2003 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics On Parallel Computers by : Peter Grassberger
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.
Book Synopsis Molecular Dynamics Simulation of Self Assembled Monolayers by : Leyla Ramin
Download or read book Molecular Dynamics Simulation of Self Assembled Monolayers written by Leyla Ramin and published by . This book was released on 2012 with total page 556 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :Peter Grassberger Publisher :World Scientific Publishing Company ISBN 13 :9789810242329 Total Pages :312 pages Book Rating :4.2/5 (423 download)
Book Synopsis Molecular Dynamics on Parallel Computers by : Peter Grassberger
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.
Book Synopsis Methods for Molecular Interactions and Large-scale Simulations by : Byoungseon Jeon
Download or read book Methods for Molecular Interactions and Large-scale Simulations written by Byoungseon Jeon and published by . This book was released on 2008 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics Simulations on Parallel Computers by : Stephen E. DeBolt
Download or read book Molecular Dynamics Simulations on Parallel Computers written by Stephen E. DeBolt and published by . This book was released on 1993 with total page 712 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Applications for Two Aspects of Molecular Simulations by : Ruqin Zhang
Download or read book Applications for Two Aspects of Molecular Simulations written by Ruqin Zhang and published by . This book was released on 2005 with total page 102 pages. Available in PDF, EPUB and Kindle. Book excerpt: This study consists of two applications of molecular simulation. For the first work, molecular simulations for self-assembled monolayer (SAM) formation on Au (111) substrate are conducted. The molecular system includes various interactions: Lennard-Jones, Morse potential, covalent bonding and metallic bonding. A multiscale frame work is developed to predict the phases of SAM formation under different coverage densities, as well as the surface stress development during the formation process. In order to investigate the surface stress generation, an adatom dipole based elastic interaction model is also employed. The ultimate simulation results for surface stress development obtained are of the same magnitude as reported in experimental observations. In the second work, the material detachment mechanism associated with chemical mechanical polishing (CMP) process is investigated. Based on an existing scratch intersection model, this work includes two parts: first, an analytical model is utilized to calculate the characteristic length that is related to the horizontal shear failure in scratch intersection model; then, molecular dynamics simulations are performed for the scratch intersection to find the associated characteristic length in atomistic scale. Both models are utilized to predict the relation between characteristic lengths and scratch depths for various values. Predictions from two approaches are compared with experimental observations to draw the correlation between experimental observations and simulation results.
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2008 with total page 800 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Modeling for the Design of Novel Performance Chemicals and Materials by : Beena Rai
Download or read book Molecular Modeling for the Design of Novel Performance Chemicals and Materials written by Beena Rai and published by CRC Press. This book was released on 2012-03-23 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a result, MM engineers and practitioners are often seized with the question: "How do I leverage these tools to develop novel materials or chemicals in my industry?" Molecular Modeling for the Design of Novel Performance Chemicals and Materials answers this important question via a simple and practical approach to the MM paradigm. Using case studies, it highlights the importance and usability of MM tools and techniques in various industrial applications. The book presents detailed case studies demonstrating diverse applications such as mineral processing, pharmaceuticals, ceramics, energy storage, electronic materials, paints, coatings, agrochemicals, and personal care. The book is divided into themed chapters covering a diverse range of industrial case studies, from pharmaceuticals to cement. While not going too in-depth into fundamental aspects, the book covers almost all paradigms of MM, and references are provided for further learning. The text includes more than 100 color illustrations of molecular models.
Book Synopsis Large-scale Molecular Dynamics Simulation Using Vector and Parallel Computers by : Dennis C. Rapaport
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:
Book Synopsis Large-scale Molecular Dynamics Simulation Using Vector and Parallel Computers by : D. C. Rapaport
Download or read book Large-scale Molecular Dynamics Simulation Using Vector and Parallel Computers written by D. C. Rapaport and published by . This book was released on 1988 with total page 53 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Innovations in Biomolecular Modeling and Simulations by : Tamar Schlick
Download or read book Innovations in Biomolecular Modeling and Simulations written by Tamar Schlick and published by Royal Society of Chemistry. This book was released on 2012-05-24 with total page 381 pages. Available in PDF, EPUB and Kindle. Book excerpt: The chemical and biological sciences face unprecedented opportunities in the 21st century. A confluence of factors from parallel universes - advances in experimental techniques in biomolecular structure determination, progress in theoretical modeling and simulation for large biological systems, and breakthroughs in computer technology - has opened new avenues of opportunity as never before. Now, experimental data can be interpreted and further analysed by modeling, and predictions from any approach can be tested and advanced through companion methodologies and technologies. This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts. With contributions from experts in the field, the books describe progress and innovation in areas including: simulation algorithms for dynamics and enhanced configurational sampling, force field development, implicit solvation models, coarse-grained models, quantum-mechanical simulations, protein folding, DNA polymerase mechanisms, nucleic acid complexes and simulations, RNA structure analysis and design and other important topics in structural biology modeling. The books are aimed at graduate students and experts in structural biology and chemistry and the emphasis is on reporting innovative new approaches rather than providing comprehensive reviews on each subject.
Book Synopsis Molecular Dynamics Studies of Model Self-assembled Monolayer Films and Related Systems by : Wen Mar
Download or read book Molecular Dynamics Studies of Model Self-assembled Monolayer Films and Related Systems written by Wen Mar and published by . This book was released on 1994 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics in Self-assembled Monolayers and Polymers Studied Via Sensitive Dielectric Spectroscopy by :
Download or read book Molecular Dynamics in Self-assembled Monolayers and Polymers Studied Via Sensitive Dielectric Spectroscopy written by and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: For many molecular systems, interpreting experimental molecular dynamics, by studying the response of a system to external stimuli, is a difficult task. Often the experimental response cannot be reasonably connected to a specific molecular motion. The aim of this work is to examine molecular systems where this difficulty can be overcome. We use sensitive dielectric spectroscopy to investigate the molecular dynamics of two different systems, chlorosilane self-assymbled monolayers and modified siloxane polymers. The polymers studied responded to changes in their surrounding media by altering their wetting characterstics. Because this macroscopic responsive is present, we are able correlate the microscopic response (as measured by dielectric spectroscopy) to likely molecular motions. The goal of the self-assembled monolayer work is similar albeit by a different approach. In this case, the degrees of freedom were limited by using surface bound molecules. By controlling the molecular density we are able to investigate both local, non-cooperative motions as well as interacting dynamics. Specifically, we will show a connection between the interacting dynamics of the self-assembled monolayers to glass transitions found in more complicated materials.
Book Synopsis Amorphous Insulators and Semiconductors by : M.F. Thorpe
Download or read book Amorphous Insulators and Semiconductors written by M.F. Thorpe and published by Springer Science & Business Media. This book was released on 1997-01-31 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this NATO ASI has been to present an up-to-date overview of current areas of interest in amorphous materials. In order to limit the material to a manageable amount, the meeting was concerned exclusively with insulating and semiconducting materials. The lectures and seminars fill the gap between graduate courses and research seminars. The lecturers and seminar speakers were chosen as experts in their respective areas and the lectures and seminars that were given are presented in this volume. During the first week of the meeting. an emphasis was placed on introductory lectures, mainly associated with questions relating to the glass-formation and the structure of glasses. The second week focused more on research seminars. Each day of the meeting. about four posters were presented during the coffee breaks, and these formed an important focus for discussions. The posters are not reproduced in this volume as the editors wanted to have only larger contributions to make this volume more coherent. This volume is organized into four sections, starting with general considerations of the glass forming ability and techniques for the preparation of different kinds of glasses.
Book Synopsis Foundations of Molecular Modeling and Simulation by : Peter T. Cummings
Download or read book Foundations of Molecular Modeling and Simulation written by Peter T. Cummings and published by . This book was released on 2001 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis AIChE Symposium Series by : American Institute of Chemical Engineers
Download or read book AIChE Symposium Series written by American Institute of Chemical Engineers and published by . This book was released on 2001 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt:
