Numerical modelling of geodynamic processes was predominantly the domain of high-level mathematicians experienced in numerical and computational techniques. Now, for the first time, students and new researchers in the Earth Sciences can learn the basic theory and applications from a single, accessible reference text. Assuming only minimal prerequisite mathematical training (simple linear algebra and derivatives) the author provides a solid grounding in basic mathematical theory and techniq...

This hands-on introduction to numerical geodynamic modelling provides a solid grounding in the necessary mathematical theory and techniques, including continuum mechanics and partial differential equations, before introducing key numerical modelling methods and applications. Fully updated, this second edition includes four completely new chapters covering the most recent advances in modelling inertial processes, seismic cycles and fluid-solid interactions, and the development of adaptive m...

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

X-ray absorption fine structure spectroscopy (XAFS) is a powerful and versatile technique for studying structures of materials in chemistry, physics, biology and other fields. This textbook is a comprehensive, practical guide to carrying out and interpreting XAFS experiments. Assuming only undergraduate-level physics and mathematics, the textbook is ideally suited for graduate students in physics and chemistry starting XAFS-based research. It contains concise executable example programs in...

State-of-the-art analysis of geological structures has become increasingly quantitative but traditionally, graphical methods are used in teaching. This innovative lab book provides a unified methodology for problem-solving in structural geology using linear algebra and computation. Assuming only limited mathematical training, the book begins with classic orientation problems and progresses to more fundamental topics of stress, strain and error propagation. It introduces linear algebra meth...

Building up gradually from first principles, this unique introduction to modern thermodynamics integrates classical, statistical and molecular approaches and is especially designed to support students studying chemical and biochemical engineering. In addition to covering traditional problems in engineering thermodynamics in the context of biology and materials chemistry, students are also introduced to the thermodynamics of DNA, proteins, polymers and surfaces. It includes over 80 detailed...

Aimed at students and researchers entering the field, this pedagogical introduction to numerical relativity will also interest scientists seeking a broad survey of its challenges and achievements. Assuming only a basic knowledge of classical general relativity, the book develops the mathematical formalism from first principles, and then highlights some of the pioneering simulations involving black holes and neutron stars, gravitational collapse and gravitational waves. The book contains 30...

This new text surveys a series of fundamental problems in astrophysics, both analytically and computationally, for advanced students in physics and astrophysics. The contents are supported by more than 110 class-tested Mathematica® notebooks, allowing rigorous solutions to be explored in a visually engaging way. Topics covered include many classical and historically interesting problems, enabling students to appreciate the mathematical and scientific challenges that have been overcome in t...

Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information ...

A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry.Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutionsTakes a hands-on approach, using state of the art software packages ...

This comprehensive and self-contained, one-stop source discusses phase-field methodology in a fundamental way, explaining advanced numerical techniques for solving phase-field and related continuum-field models. It also presents numerical techniques used to simulate various phenomena in a detailed, step-by-step way, such that readers can carry out their own code developments.Features many examples of how the methods explained can be used in materials science and engineering applicat...

Many books explain the theory of atomistic computer simulations; this book teaches you how to run themThis introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the...