Multibody Dynamics


Book Description

This volume provides the international multibody dynamics community with an up-to-date view on the state of the art in this rapidly growing field of research which now plays a central role in the modeling, analysis, simulation and optimization of mechanical systems in a variety of fields and for a wide range of industrial applications. This book contains selected contributions delivered at the ECCOMAS Thematic Conference on Multibody Dynamics, which was held in Brussels, Belgium and organized by the Université catholique de Louvain, from 4th to 7th July 2011. Each paper reflects the State-of-Art in the application of Multibody Dynamics to different areas of engineering. They are enlarged and revised versions of the communications, which were enhanced in terms of self-containment and tutorial quality by the authors. The result is a comprehensive text that constitutes a valuable reference for researchers and design engineers which helps to appraise the potential for the application of multibody dynamics methodologies to a wide range of areas of scientific and engineering relevance.







Molecular Modeling and Simulation


Book Description

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




Coarse-Graining of Condensed Phase and Biomolecular Systems


Book Description

Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.




Sketchbook


Book Description

Cute Unicorn Sketchbook for Girls, Kids, Teens, Tweens and Women Good quality white paper. Best for crayons, colored pencils, watercolor paints and very light fine tip markers. Extra large size (8.5" x 11") 109 pages Premium design Blank Sketchbooks are perfect for: Stocking Stuffers & Gift Baskets Party Favors Birthday & Christmas Gifts Graduation & End of School Year Gifts Summer Travel Teacher Gifts Art Classes Doodle Diaries




Protein Simulations


Book Description

Protein Simulation focuses on predicting how protein will act in vivo. These studies use computer analysis, computer modeling, and statistical probability to predict protein function.* Force Fields* Ligand Binding* Protein Membrane Simulation* Enzyme Dynamics* Protein Folding and unfolding simulations




Applications from Engineering with MATLAB Concepts


Book Description

The book presents a collection of MATLAB-based chapters of various engineering background. Instead of giving exhausting amount of technical details, authors were rather advised to explain relations of their problems to actual MATLAB concepts. So, whenever possible, download links to functioning MATLAB codes were added and a potential reader can do own testing. Authors are typically scientists with interests in modeling in MATLAB. Chapters include image and signal processing, mechanics and dynamics, models and data identification in biology, fuzzy logic, discrete event systems and data acquisition systems.




Free Energy Calculations


Book Description

Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.




Computational Approaches for Chemistry Under Extreme Conditions


Book Description

This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.




Special Purpose Computers


Book Description

Special Purpose Computers describes special-purpose computers and compares them to general-purpose computers in terms of speed and cost. Examples of computers that were designed for the efficient solution of long established algorithms are given, including Navier-Stokes hydrodynamic solvers, classical molecular dynamic machines, and Ising model computers. Comprised of seven chapters, this volume begins by documenting the progress of the CalTech Concurrent Computation Program and its evolution from computational high-energy physics to a supercomputer initiative, with emphasis on the lessons learned including computer architecture issues and the trade-offs between in-house and commercial development. The reader is then introduced to the QCD Machine, a special-purpose parallel supercomputer that was designed and built to solve the lattice quantum chromodynamics problem. Subsequent chapters focus on the Geometry-Defining Processors and their application to the solution of partial differential equations; the Navier-Stokes computer; parallel processing using the Loosely Coupled Array of Processors (LCAP) system; and the Delft Ising system processor. The design and implementation of the Delft molecular-dynamics processor are also described. This book will be of interest to computer engineers and designers.