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Metallic Systems
Metallic systems are ubiquitous in daily life. They play key roles, for example, in the chemistry of many biomolecules, ionic solutions, nanoparticles, and catalytic processes. They may be in solid, liquid, or gaseous form. The interactions of other molecules with metal surfaces are of considerable importance. Each of these topics is addressed in M
High Pressure Phenomena
In many respects, the science of materials has only fully utilized two of its three fundamental tools - the variables of temperature and chemical composition. Pressure, the third fundamental variable altering materials, is in many ways the most remarkable, as it spans some 60 orders of magnitude in the universe. High-pressure science has experienced tremendous growth, particularly in the last few years. With recent developments in static and dynamic compression techniques, extreme pressure and temperature conditions can now be produced and carefully controlled over a wide range. Moreover, a new generation of analytical probes, many based on third-generation synchrotron radiation sources, hav...
Architectural Graphics
This book reports on several advances in architectural graphics, with a special emphasis on education, training, and research. It gathers a selection of contributions to the 19th International Conference on Graphic Design in Architecture, EGA 2022, held on June 2–4, 2022, in Cartagena, Spain, with the motto: "Beyond drawings. The use of architectural graphics".
Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations
The unique behavior of the "liquid state", together with the richness of phenomena that are observed, render liquids particularly interesting for the scientific community. Note that the most important reactions in chemical and biological systems take place in solutions and liquid-like environments. Additionally, liquids are utilized for numerous industrial applications. It is for these reasons that the understanding of their properties at the molecular level is of foremost interest in many fields of science and engineering. What can be said with certainty is that both the experimental and theoretical studies of the liquid state have a long and rich history, so that one might suppose this to ...
Computer Simulation in Materials Science
This volume collects the contributions! to the NATO Advanced Study Institute (ASI) held in Aussois (France) by March 25 - April 5, 1991. This NATO ASI was intended to present and illustrate recent advances in computer simulation techniques applied to the study of materials science problems. Introductory lectures have been devoted to classical simulations with special reference to recent technical improvements, in view of their application to complex systems (glasses, molecular systems . . . ). Several other lectures and seminars focused on the methods of elaboration of interatomic potentials and to a critical presentation of quantum simulation techniques. On the other hand, seminars and post...
Theoretical Biochemistry
Theoretical chemistry has been an area of tremendous expansion and development over the past decade; from an approach where we were able to treat only a few atoms quantum mechanically or make fairly crude molecular dynamics simulations, into a discipline with an accuracy and predictive power that has rendered it an essential complementary tool to experiment in basically all areas of science. This volume gives a flavour of the types of problems in biochemistry that theoretical calculations can solve at present, and illustrates the tremendous predictive power these approaches possess.A wide range of computational approaches, from classical MD and Monte Carlo methods, via semi-empirical and DFT approaches on isolated model systems, to Car-Parinello QM-MD and novel hybrid QM/MM studies are covered. The systems investigated also cover a broad range; from membrane-bound proteins to various types of enzymatic reactions as well as inhibitor studies, cofactor properties, solvent effects, transcription and radiation damage to DNA.
Sraffa and Modern Economics, Volume I
Analyzing Sraffa, one of the key figures in the history of economics, this book explores his legacy and the relevance of his thought for modern economics. Written by an array of internationally respected contributors, including Schefold, Aspromourgos, Nell and Kurz it is an invaluable tool for all those studying the history of economic thought.
Computational Materials Science
This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Problems and solutions are provided to facilitate understanding. Readers will gain sufficient knowledge to begin theoretical studies in modern materials research. This second edition includes a lot of recent theoretical techniques in materials research. With the computers power now available, it is possible to use these numerical techniques to study various physical and chemical properties of complex materials from first principles. The new edition also covers empirical methods, such as tight-binding and molecular dynamics.
Reviving Aleppo
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Production, Distribution and Trade
This collection brings together significant new contributions to the Sraffa--based theories of production and distribution, from post-Keynesian arguments concerning monetary and macro economics to the history of thought and methodology. All of the authors are well established authorities in their field, and in this book they add stimulating and original pieces of analysis to the contemporary literature. Production, Distribution and Trade is divided into three parts. The first explores analytical issues in production and exchange theory, the second examines Postkeynesian Macroeconomics and the final part includes essays on the history of economic thought and methodology. This collection has b...
