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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 worl...
The aim of the book is to provide an understanding of the current science underpinning Carbon Capture and Sequestration (CCS) and to provide students and interested researchers with sufficient background on the basics of Chemical Engineering, Material Science, and Geology that they can understand the current state of the art of the research in the field of CCS. In addition, the book provides a comprehensive discussion of the impact of CCS on the energy landscape, society, and climate as these topics govern the success of the science being done in this field.The book is aimed at undergraduate students, graduate students, scientists, and professionals who would like to gain a broad multidisciplinary view of the research that is being carried out to solve one of greatest challenges of our generation.
Understanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations. Understanding Molecular Simulation is equally relevant for those who develop new code and those who use existing packages. Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular Simulation provides readers with the foundational knowledge they need to learn about, select and apply the most appropriate of these tools to their own work. The implementati...
This extensive and comprehensive collection of lectures by world-leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 2 offers surveys on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology, including supercooled liquids, spin glasses, colloids, polymers, liquid crystals, biological membranes and folding proteins.
The book offers a good summary of the field for all scientists who are interested in synthesis, properties, and the application of silicone surfactants." ---Molecular Chemistry and Physics. "Serves as a comprehensive introduction to the preparation, uses, and physical chemistry of silicone surfactants--focusing on silicone polyoxyalkylene copolymers that are surface active in both aqueous and nonaqueous systems. Covers applications in the manufacture of polyurethane foam, coatings, wetting agents, fabric finishes, and polymer surface modifiers."
This book offers a complete introduction and overview to the basics and fundamentals of computational methods that have been developed in physics at the undergraduate and upper-division levels. It details how to make a physical problem computable and tractable with a computer, through the use of numerous examples and solved problems ranging from classical mechanics, thermodynamics, and molecular dynamics, to quantum mechanics, random processes, and more. The book directly teaches the reader how to implement these techniques within a physical problem.
The scope and spectrum of methods and techniques applied in detergent analysis have changed significantly during the last decade. Handbook of Detergents, Part C: Analysis demonstrates state-of-the-art strategies, methods, and techniques for the analytical deformulation of modern detergents. It offers a comprehensive view of all aspects of de
Over the last decade, the biggest advances in physical chemistry have come from thinking smaller. The leading edge in research pushes closer to the atomic frontier with every passing year. Collecting the latest developments in the science and engineering of finely dispersed particles and related systems, Finely Dispersed Particles: Micro-, Nano-, a