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Modeling and Simulation References
Molecular Dynamics Simulation
Chapter from Ullmann's Encyclopedia of Industrial Chemistry on modeling. This is a high quality, well-referenced academic review chapter.
Chapter from the Encyclopedia of Polymer Science & Technology another well-referenced academic review.
Wiley Online Library
A multidisciplinary collection of online resources covering life, health and physical sciences, social science, and the humanities.
Useful Modeling and Simulation Ebooks
Handbook of Materials Modeling by
Publication Date: 2005-01-01
The first reference of its kind in the rapidly emerging field of computational approach to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community.
Biomolecular Simulations: Methods and Protocols by
Publication Date: 2013
(from publisher website)
* Illustrates methods commonly used in molecular modeling of biological systems
* Provides step-by-step detail essential for reproducible results
* Contains key notes and implementation advice from the experts
Over the past 40 years the field of molecular simulations has evolved from picosecond studies of isolated macromolecules in vacuum to studies of complex, chemically heterogeneous biological systems consisting of millions of atoms, with the simulation time scales spanning up to milliseconds. In Biomolecular Simulations: Methods and Protocols, expert researchers illustrate many of the methods commonly used in molecular modelling of biological systems, including methods for electronic structure calculations, classical molecular dynamics simulations and coarse-grained techniques. A selection of advanced techniques and recent methods.
An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions by
Publication Date: 2012
This book has two objectives. First, it is a primer on the kMC method (predominantly using the lattice-gas model) and thus much of the book will also be useful for applications other than to surface reactions. Second, it is intended to teach the reader what can be learned from kMC simulations of surface reaction kinetics.
With these goals in mind, the present text is conceived as a self-contained introduction for students and non-specialist researchers alike who are interested in entering the field and learning about the topic from scratch.
Molecular Modeling and Simulation by
Publication Date: 2010-01-01
Review of previous edition: “I am often asked by physicists, mathematicians and engineers to recommend a book that would be useful to get them started in computational molecular biology. I am also often approached by my colleagues in computational biology to recommend a solid textbook for a graduate course in the area. Tamar Schlick has written the book that I will be recommending to both groups. Tamar has done an amazing job in writing a book that is both suitably accessible for beginners, and suitably rigorous for experts.” J. J. Collins, Boston University, USA. “Molecular modeling … is now an important branch of modern biochemistry. … Schlick has brought her unique interdisciplinary expertise to the subject. … One of the most distinguished characteristics of the book is that it makes the reading really fun … and the material accessible. … a crystal clear logical presentation … . Schlick has added a unique title to the collection of mathematical biology textbooks … . a valuable introduction to the field of computational molecular modeling. It is a unique textbook … .” Hong Qian, SIAM Review, 2005.
Ising-type Antiferromagnets by
Publication Date: 2006-09-01
The book deals with selected modern aspects of artificially layered structures and bulk materials involving antiferromagnetic long-range order. Special emphasis is laid on the prototypical behavior of Ising-type model systems. They play a crucial role in the field of statistical physics and, in addition, contribute to the basic understanding of the exchange bias phenomenon in MBE-grown magnetic heterosystems. Throughout the book, particular attention is given to the interplay between experimental results and their theoretical description, ranging from the famous Lee-Yang theory of phase transitions to novel mechanisms of exchange bias.
Modeling and Simulation An Application-Oriented Introduction by
Publication Date: 2014
(from publisher website)
This book provides an introduction to mathematical and computer-oriented modeling and to simulation as a universal methodology. It therefore addresses various model classes and their derivations. And it demonstrates the diversity of approaches that can be taken: be it discrete or continuous, deterministic or stochastic. A common underlying theme throughout the book are the means in which one obtains practical simulation results from these different abstract models.
Whether it is game theory or mathematical finance, traffic or control theory, population dynamics or chaos, or molecular dynamics, continuum mechanics or computer graphics - the reader gains insight into the world of simulation in a descriptive yet systematic way.
Quantum Ising Phases and Transitions in Transverse Ising Models 2nd edition by
Publication Date: 2013
(from publisher website)
For modeling purposes, most of the current innovative and successful research in this field has been obtained by either directly or indirectly using the insights provided by quantum (or transverse field) Ising models because of the separability of the cooperative interaction from the tunable transverse field or tunneling term in the relevant Hamiltonian. Also, a number of condensed matter systems can be modeled accurately in this approach, hence granting the possibility to compare advanced models with actual experimental results.
This work introduces these quantum Ising models and analyses them both theoretically and numerically in great detail. With its tutorial approach the book addresses above all young researchers who wish to enter the field and are in search of a suitable and self-contained text, yet it will also serve as a valuable reference work for all active researchers in this area.