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.

Tensors are used throughout the sciences, especially in solid state physics and quantum information theory. This book brings a geometric perspective to the use of tensors in these areas. It begins with an introduction to the geometry of tensors and provides geometric expositions of the basics of quantum information theory, Strassen's laser method for matrix multiplication, and moment maps in algebraic geometry. It also details several exciting recent developments regarding tensors in general. In particular, it discusses and explains the following material previously only available in the original research papers: (1) Shitov's 2017 refutation of longstanding conjectures of Strassen on rank additivity and Common on symmetric rank; (2) The 2017 Christandl-Vrana-Zuiddam quantum spectral points that bring together quantum information theory, the asymptotic geometry of tensors, matrix multiplication complexity, and moment polytopes in geometric invariant theory; (3) the use of representation theory in quantum information theory, including the solution of the quantum marginal problem; (4) the use of tensor network states in solid state physics, and (5) recent geometric paths towards upper bounds for the complexity of matrix multiplication. Numerous open problems appropriate for graduate students and post-docs are included throughout.