Featuring detailed explanations of the major algorithms used in quantum Monte Carlo simulations, this is the first textbook of its kind to provide a pedagogical overview of the field and its applications. The book provides a comprehensive introduction to the Monte Carlo method, its use, and its foundations, and examines algorithms for the simulation of quantum many-body lattice problems at finite and zero temperature. These algorithms include continuous-time loop and cluster algorithms for quantum spins, determinant methods for simulating fermions, power methods for computing ground and excited states, and the variational Monte Carlo method. Also discussed are continuous-time algorithms for quantum impurity models and their use within dynamical mean-field theory, along with algorithms for analytically continuing imaginary-time quantum Monte Carlo data. The parallelization of Monte Carlo simulations is also addressed. This is an essential resource for graduate students, teachers, and researchers interested in quantum Monte Carlo techniques.

This book sets out modern methods of computing properties of materials, including essential theoretical background, computational approaches, practical guidelines and instructive applications.

As the first of its kind, this book identifies major questions and challenges that will influence research on domain walls in the years to come.

This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods. Illustrative examples are given to facilitate understanding of the basic concepts and quantitative prediction of the properties and rich behavior of diverse many-body systems ranging from inhomogeneous fluids, electrolytes and ionic liquids in micropores, colloidal dispersions, liquid crystals, polymer blends, lipid membranes, microemulsions, magnetic materials and high-temperature superconductors. All chapters are written by leading experts in the field and illustrated with tutorial examples for their practical applications to specific subjects. With emphasis placed on physical understanding rather than on rigorous mathematical derivations, the content is accessible to graduate students and researchers in the broad areas of materials science and engineering, chemistry, chemical and biomolecular engineering, applied mathematics, condensed-matter physics, without specific training in theoretical physics or calculus of variations.

The development of transistors, the integrated circuit, liquid-crystal displays, and even DVD players can be traced back to fundamental research pioneered in the field of condensed-matter and materials physics (CMPP). The United States has been a leader in the field, but that status is now in jeopardy. Condensed-Matter and Materials Physics, part of the Physics 2010 decadal survey project, assesses the present state of the field in the United States, examines possible directions for the 21st century, offers a set of scientific challenges for American researchers to tackle, and makes recommendations for effective spending of federal funds. This book maintains that the field of CMPP is certain to be principle to both scientific and economic advances over the next decade and the lack of an achievable plan would leave the United States behind. This book's discussion of the intellectual and technological challenges of the coming decade centers around six grand challenges concerning energy demand, the physics of life, information technology, nanotechnology, complex phenomena, and behavior far from equilibrium. Policy makers, university administrators, industry research and development executives dependent upon developments in CMPP, and scientists working in the field will find this book of interest.