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Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the 'recipes' of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text.
Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: -Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the 'recipes' of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide
This book provides a vivid account of the early history of molecular simulation, a new frontier for our understanding of matter that was opened when the demands of theoretical physicists were met by the availability of the modern computers. Since their inception, electronic computers have
Advances in Atomic, Molecular, and Optical Physics, Volume 67, provides a comprehensive compilation of recent developments in a field that is in a state of rapid growth. Topics covered include related applied areas, such as atmospheric science, astrophysics, surface physics, and laser physics, with
Radiochemistry or nuclear chemistry is the study of radiation from an atomic and molecular perspective, including elemental transformation and reaction effects, as well as physical, health and medical properties. This revised edition of one of the earliest and best-known books on the subject has
'The first two editions of this textbook have received well-deserved high acclaims, and this -- the third edition -- deserves no less. Its explanations of the whole gamut of atomic and molecular spectroscopy provide a solid grasp of the theory as well as how to understand such spectra in practice
An understanding of the nervous system at virtually any level of analysis requires an understanding of its basic building block, the neuron. The third edition of From Molecules to Networks provides the solid foundation of the morphological, biochemical, and biophysical properties of nerve cells. In
Molecular farming has been hailed as the 'third wave' of genetically-modified organisms produced through biotechnology for the bio-based economy of the future. Unlike products of the first wave, such as herbicide resistant crop plants, which were perceived to benefit only the farmers who used them
Understanding when and why algorithms work is a fundamental challenge. For problems ranging from clustering to linear programming to neural networks there are significant gaps between empirical performance and prediction based on traditional worst-case analysis. The book introduces exciting new
Written for the highly successful Methods in Molecular Biology series, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, tips on troubleshooting and avoiding known
A reconceptualization of origins research that exploits a modern understanding of non-covalent molecular forces that stabilize living prokaryotic cells. Scientific research into the origins of life remains exploratory and speculative. Science has no definitive answer to the biggest questions--What
Current techniques for studying biological macromolecules and their interactions are based on the application of physical methods, ranging from classical thermodynamics to more recently developed techniques for the detection and manipulation of single molecules. Reflecting the advances made in
It is arguable that most of chemistry and a large portion of atomic physics is concemed with the behaviour of the 92 naturally occurring elements in each of 3 charge states (+1, 0, -1); 276 distinct species. The world of multiply and highly charged ions provides a further 4186 species for us to
With this fully updated second edition, readers will gain a detailed understanding of the physics and applications of modern X-ray and EUV radiation sources. Taking into account the most recent improvements in capabilities, coverage is expanded to include new chapters on free electron lasers
Provides, in the form of a syllabus, a comprehensive overview of the basic medical physics knowledge required for the practice of modern diagnostic radiology. The material presented has been endorsed by the major international organisations and is the foundation for academic and clinical courses in
Compiled from sessions presented at the 2008 AAPM Summer School, held in Houston, the topics include PET and CT basics, diagnostic and clinical alications, PET/CT scanner designs and characteristics, scanner testing, PET ACR accreditation and acceptance testing, PET/CT simulation for therapy
Discover the subject of optimization in a new light with this modern and unique treatment. Includes a thorough exposition of applications and algorithms in sufficient detail for practical use, while providing you with all the necessary background in a self-contained manner. Features a deeper
Driven by demand from the entertainment industry for better and more realistic animation, technology continues to evolve and improve. The algorithms and techniques behind this technology are the foundation of this comprehensive book, which is written to teach you the fundamentals of animation
Master the usage of s-parameters in signal integrity applications and gain full understanding of your simulation and measurement environment with this rigorous and practical guide. Solve specific signal integrity problems including calculation of the s-parameters of a network, linear simulation of
This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and
In this book, the interaction between high-end molecular gastronomy and architecture is explained in an illuminating and entertaining
This book is derived from lecture notes for a course on Fourier analysis for engineering and science students at the advanced undergraduate or beginning graduate level. Beyond teaching specific topics and techniques, the author's goal is to help engineering and science students cultivate more
Understanding of polymer interactions is important for effective processing of plastics and their blends, mixing with nanoparticles, and understanding of their mechanical and physical (e.g., electrical) properties. This book describes a new physics of interactions in polymers that challenges
Expert Guidance on the Math Needed for 3D Game ProgrammingDeveloped from the authors' popular Game Developers Conference (GDC) tutorial, Essential Mathematics for Games and Interactive Applications, Third Edition illustrates the importance of mathematics in 3D programming. It shows you how to
Distinct from the majority of optimization books on the market intended for a mathematically sophisticated audience who might want to develop their own new methods of optimization or do research in the field, this volume fills the void in instructional material for those who need to understand the