This textbook presents basic and advanced computational physics in a very didactic style. It contains very-well-presented and simple mathematical descriptions of many of the most important algorithms used in computational physics.The first part of the book discusses the basic numerical methods. The second part concentrates on simulation of classical and quantum systems. Several classes of integration methods are discussed including not only the standard Euler and Runge Kutta method...

A lucid presentation of statistical physics and thermodynamics which develops from the general principles to give a large number of applications of the theory.

The Fundamentals of Atomic and Molecular Physics is intended as an introduction to the field for advanced undergraduates who have taken quantum mechanics. Each chapter builds upon the previous, using the same tools and methods throughout. As the students progress through the book, their ability to use these tools will steadily increase, along with their confidence in their efficacy. The book treats the two-electron atom as the simplest example of the many-electron atom—as opposed ...

Examines the intersection of quantum information and chemical physicsThe Advances in Chemical Physics series is dedicated to reviewing new and emerging topics as well as the latest developments in traditional areas of study in the field of chemical physics. Each volume features detailed comprehensive analyses coupled with individual points of view that integrate the many disciplines of science that are needed for a full understanding of chemical physics.Thi...

This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS) in 2015. The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume cov...

This book deals with those properties of non-equilibrium soft matter that deviate greatly from the bulk properties as a result of nanoscale confinement.The ultimate physical origin of these confinement effects is not yet fully understood. At the state of the art, the discussion on confinement effects focuses on equilibrium properties, finite size effects and interfacial interactions. However this is a limited vision which does not fully capture the peculiar behaviour of soft matter under c...

This book addresses the control of electronic properties of carbon nanotubes. It presents thermodynamic calculations of the formation of impurities and defects in the interaction of nanotubes with hydrogen, oxygen, nitrogen and boron, based on theoretical models of the formation of defects in carbon nanotubes. It is shown that doping and adsorption lead to changes in the electronic structure of the tubes as well as to the appearance of impurity states in the HOMO-LUMO gap. The book present...

This book helps advanced undergraduate, graduate and postdoctoral students in their daily work by offering them a compendium of numerical methods. The choice of methods pays significant attention to error estimates, stability and convergence issues as well as to the ways to optimize program execution speeds.Many examples are given throughout the chapters, and each chapter is followed by at least a handful of more comprehensive problems which may be dealt with, for example, on a wee...

A compendium representing the current state of the art in the modelling, simulation and physics of the interaction of hydrogen and helium with plasma facing materials in fusion reactors. This is the topic that will determine the success of the production of energy by future Tokamak reactors and it is here discussed by the world's experts. Topics covered are recycling of hydrogen isotopes; wall fuelling and wall pumping; active control of hydrogen recycling; hydrogen and helium behaviour in...

This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS). The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume covers a wi...

This short primer offers non-specialist readers a concise, yet comprehensive introduction to the field of classical fluids – providing both fundamental information and a number of selected topics to bridge the gap between the basics and ongoing research.In particular, hard-sphere systems represent a favorite playground in statistical mechanics, both in and out of equilibrium, as they represent the simplest models of many-body systems of interacting particles, and at higher temperat...

In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explain...