Quantum Monte Carlo Approaches for Correlated Systems

Quantum Monte Carlo Approaches for Correlated Systems
Author: Federico Becca
Publisher: Cambridge University Press
Total Pages: 287
Release: 2017-11-30
Genre: Mathematics
ISBN: 1107129931

A comprehensive introduction to state-of-the-art quantum Monte Carlo techniques for applications in strongly-interacting systems. Including variational wave functions, stochastic samplings, the variational technique, optimisation techniques, real-time dynamics and projection methods and recent developments on the continuum space. An extensive resource for students and researchers.

Strongly Correlated Systems

Strongly Correlated Systems
Author: Adolfo Avella
Publisher: Springer Science & Business Media
Total Pages: 350
Release: 2013-04-05
Genre: Science
ISBN: 3642351069

This volume presents, for the very first time, an exhaustive collection of those modern numerical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and material science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciate consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as possible way, with the working details of a specific technique.

Quantum Monte Carlo Methods in Condensed Matter Physics

Quantum Monte Carlo Methods in Condensed Matter Physics
Author: Masuo Suzuki
Publisher: World Scientific
Total Pages: 380
Release: 1993
Genre: Science
ISBN: 9789810236830

This book reviews recent developments of quantum Monte Carlo methods and some remarkable applications to interacting quantum spin systems and strongly correlated electron systems. It contains twenty-two papers by thirty authors. Some of the features are as follows. The first paper gives the foundations of the standard quantum Monte Carlo method, including some recent results on higher-order decompositions of exponential operators and ordered exponentials. The second paper presents a general review of quantum Monte Carlo methods used in the present book. One of the most challenging problems in the field of quantum Monte Carlo techniques, the negative-sign problem, is also discussed and new methods proposed to partially overcome it. In addition, low-dimensional quantum spin systems are studied. Some interesting applications of quantum Monte Carlo methods to fermion systems are also presented to investigate the role of strong correlations and fluctuations of electrons and to clarify the mechanism of high-c superconductivity. Not only thermal properties but also quantum-mechanical ground-state properties have been studied by the projection technique using auxiliary fields. Further, the Haldane gap is confirmed by numerical calculations. Active researchers in the forefront of condensed matter physics as well as young graduate students who want to start learning the quantum Monte Carlo methods will find this book useful.

Quantum Monte Carlo Methods in Physics and Chemistry

Quantum Monte Carlo Methods in Physics and Chemistry
Author: M.P. Nightingale
Publisher: Springer Science & Business Media
Total Pages: 488
Release: 1998-12-31
Genre: Science
ISBN: 9780792355519

In recent years there has been a considerable growth in interest in Monte Carlo methods, and quantum Monte Carlo methods in particlular. Clearly, the ever-increasing computational power available to researchers, has stimulated the development of improved algorithms, and almost all fields in computational physics and chemistry are affected by their applications. Here we just mention some fields that are covered in the lecture notes contained in this volume, viz. electronic structure studies of atoms, molecules and solids, nuclear structure, and low- or zero-temperature studies of strongly-correlated quantum systems, both of the continuum and lattice variety, and cooperative phenomena in classical systems. Although each area of application may have its own peculiarities, requiring specialized solutions, all share the same basic methodology. It was with the intention of bringing together researchers and students from these various areas that the NATO Advanced Study Institute on Quantum Monte Carlo Methods in Physics and Chemistry was held at Cornell University from 12 to 24 July, 1998. This book contains material presented at the Institute in a series of mini courses in quantum Monte Carlo methods. The program consisted of lectures predominantly of a pedagogical nature, and of more specialized seminars. The levels varied from introductory to advanced, and from basic methods to applications; the program was intended for an audience working towards the Ph.D. level and above. Despite the essentially pedagogic nature of the Institute, several of the lectures and seminars contained in this volume present recent developments not previously published.

Quantum Monte Carlo Approaches for Correlated Systems

Quantum Monte Carlo Approaches for Correlated Systems
Author: Federico Becca
Publisher: Cambridge University Press
Total Pages: 287
Release: 2017-11-30
Genre: Science
ISBN: 1108547311

Over the past several decades, computational approaches to studying strongly-interacting systems have become increasingly varied and sophisticated. This book provides a comprehensive introduction to state-of-the-art quantum Monte Carlo techniques relevant for applications in correlated systems. Providing a clear overview of variational wave functions, and featuring a detailed presentation of stochastic samplings including Markov chains and Langevin dynamics, which are developed into a discussion of Monte Carlo methods. The variational technique is described, from foundations to a detailed description of its algorithms. Further topics discussed include optimisation techniques, real-time dynamics and projection methods, including Green's function, reptation and auxiliary-field Monte Carlo, from basic definitions to advanced algorithms for efficient codes, and the book concludes with recent developments on the continuum space. Quantum Monte Carlo Approaches for Correlated Systems provides an extensive reference for students and researchers working in condensed matter theory or those interested in advanced numerical methods for electronic simulation.

Theoretical Methods for Strongly Correlated Electrons

Theoretical Methods for Strongly Correlated Electrons
Author: David Sénéchal
Publisher: Springer Science & Business Media
Total Pages: 370
Release: 2006-05-09
Genre: Science
ISBN: 0387217177

Focusing on the purely theoretical aspects of strongly correlated electrons, this volume brings together a variety of approaches to models of the Hubbard type - i.e., problems where both localized and delocalized elements are present in low dimensions. The chapters are arranged in three parts. The first part deals with two of the most widely used numerical methods in strongly correlated electrons, the density matrix renormalization group and the quantum Monte Carlo method. The second part covers Lagrangian, Functional Integral, Renormalization Group, Conformal, and Bosonization methods that can be applied to one-dimensional or weakly coupled chains. The third part considers functional derivatives, mean-field, self-consistent methods, slave-bosons, and extensions.

Machine Learning and Monte Carlo Studies of Strongly Correlated Systems

Machine Learning and Monte Carlo Studies of Strongly Correlated Systems
Author: Michael Floyd Matty
Publisher:
Total Pages: 0
Release: 2022
Genre:
ISBN:

One, if not the, major difficulty encountered in the theoretical study of many-bodyquantum systems is the exponential growth of the Hilbert space with increasing degrees of freedom. In strongly correlated systems, non-perturbative interaction effects can exacerbate this difficulty by preventing the mapping of the theory to a single-particle problem. A multitude of theoretical techniques have thus emerged with the goal of understanding and predicting the exotic behavior of strongly cor- related systems. Among them are Monte Carlo simulation and, more recently, machine learning. In this dissertation, we use and develop Monte Carlo and ma- chine learning methods with the aim of learning new physics in strongly correlated systems. In the first part we apply machine learning to data obtained from simulations of strongly correlated systems. The identification of phases and characterization of their universal properties is a ubiquitous aspect of research in condensed matter physics. One can view phase identification as a classification problem in which one uses some function to map data to a phase label. However, complications such as competing interactions, disorder, and topological order, can render commonly used functions such as local order parameters ineffective. Here, we use a supervised machine learning model to represent the function that maps data to a phase label. In particular we study the phase diagram of a disordered fractional quantum Hall system with competing interactions. In addition to this phase classification prob- lem, we also consider the question of whether a given quantum many-body wave function could even be the ground state of some local Hamiltonian. To this end we introduce Entanglement Clustering, which uses unsupervised machine learning to study unconverged, noisy Monte Carlo swap operator samples from wave functions. In the second part we apply machine learning to data obtained from exper- iments. One can view many experimental techniques as forward processes that take some experimental probe, let it interact with a sample, and produce an out- put dataset. The goal of the analysis of the output dataset is often to recover some information about the interaction of the probe with the sample such as an order parameter type or electrostatic potential. One way to do this is to attempt to find an inverse function that maps the dataset back to the desired information. Traditional solutions to such "inverse problems" often rely on the existence of a forward model. However, motivated by cases where there is no invertable and/or efficient forward model, we try instead to represent the inverse function as an ML model. With this guiding philosophy, we have been able to gain new insights into complex materials using data from resonant ultrasound spectroscopy experiments. In the third part, we approach the melting of generalized Wigner crystals by considering the strong coupling limit of a transition metal dichalcogenide (TMD) moiré system at varying densities using Monte Carlo simulations with a new cluster update algorithm. We are motivated by recent experiments in a narrow-band TMD heterobilayer moiré system that found signatures of incompressible charge ordered states at fractional fillings of the moiré lattice that one can understand as generalized Wigner crystals. We predict the generalized Wigner crystal at 1/3 filling to melt into the compressible hexagonal domain wall state upon increasing filling. Moreover, we find two distinct stripe solid states at fillings 2/5 and 1/2 to be each preceded by distinct types of nematic states.