Sadus R.J. Molecular Simulation of Fluids. Theory, Algorithms and Object-Orientation

The University of Michigan, Dep. of Nuclear Engineering and Radiological Sciences, 1998, 348 pp. The Monte Carlo method is a numerical solution to a problem that models objects interacting with other objects or their environment based upon simple object-object or object-environment relationships. It represents an attempt to model nature through direct simulation of the essential dynamics of the system in question. In this sense the Monte Carlo me...

Springer-Verlag Berlin, 2006, 711 pages 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 1 is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. It will enable the graduate student and both the specialis...

Cambridge University Press; 2 edition, 2007, 339 pages Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, mol...

Academic Press, 2001. - 664 Pages. 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 im...

Springer-Verlag, Berlin, 2008, 624 pages The interaction between mathematics and mechanics is a never ending source of new developments. This present textbook includes a wide –ranging spectrum of topics from the three body problem and gyroscope theory to bifurcation theory, optimization, control and continuum mechanics of elastic bodies and fluids. For each of the covered topics the reader can practice mathematical experiments by using a large...

Eindhoven, Technische Universiteit Eindhoven, 2003, 172 pp. - ISBN 90-386-1595-7 Key words: plasma simulation, radiative transfer, software design, molecular radiation, discharge lamps, sulfur lamp. Content General introduction Particle densities in local thermal equilibrium Basic radiation theory and implementation Semiclassical and quantum-mechanical descriptions of S2 molecular radiation Radiative transfer of a molecular S2 B-X spectrum using...

Series "Studies in Modern Thermodynamics", 1991, Elsevier Science Publisher, Amsterdam, 1991, 324 pp. The fundamental goal of Statistical Mechanics is to link the detailed determinism of many-body microscopic dynamics to the phenomenological averaged description of macroscopic behavior. During my own 30-year study of statistical mechanics computers have completely transformed the field, substantially widening the scope of this goal by making it p...

Series Lecture Notes in Physics, Springer-Verlag, Berlin Heidelberg New York, 1986, 145 pp. - ISBN 3-540-16789-7 These notes cover a series of lectures delivered to graduate students and faculty at the University of Vienna during the summer semester in 1985. The lectures summarized the current state of what is now a world-wide activity, molecular dynamics simulations. Contents Historical Development and Scope - Newton's Mechanics. Lagrange's Me...

Cambridge University Press, Cambridge, New York, 2007, 507 pp. - ISBN-13 978-0-521-85300-2 The appearance of powerful high-performance computational facilities has led to the emergence of a new approach to fundamental research, namely computational modelling and computer-based numerical simulations, with applications in practically all areas of basic and applied sciences. Carbon nanotubes are the fabric of nanotechnology. Investigation into thei...

Elsevier Inc., 2011, 322 pages This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills for developing simulation programs by providing physical problems and sample simulation programs for them to use. Provides tools to develop skills in developing simulations programs Includes sample simulation programs for the reader to use Appendix explains Fortran a...