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We study the model of Fe-based superconductors with intraorbital attraction, designed to favor a spontaneous orbital polarization. Previous studies of this model within the two-orbital approximation indicated that the leading instability is…
Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary state properties. QMC is among the most accurate and…
We develop a Monte Carlo framework to analyze the statistics of quantum work in correlated electron systems. Using the Ising-Kondo model in heavy fermions as a paradigmatic platform, we thoroughly illustrate the process of determining the…
Understanding the real time dynamics of quantum systems without quasiparticles constitutes an important yet challenging problem. We study the superfluid-insulator quantum-critical point of bosons on a two-dimensional lattice, a system whose…
Computational methods both open the frontiers of economic analysis and serve as a bottleneck in what can be achieved. We are the first to study whether Quantum Monte Carlo (QMC) algorithm can improve the runtime of economic applications and…
The one- and two-orbital double-exchange models for manganites are studied using Monte Carlo computational techniques in the presence of a robust electron-phonon coupling (but neglecting the antiferromagnetic exchange $J_{\rm AF}$ between…
The Kubo formula for the conductance of a mesoscopic system is analyzed semiclassically, yielding simple expressions for both weak localization and universal conductance fluctuations. In contrast to earlier work which dealt with times…
The shape evolution of two-dimensional islands under electromigration-driven periphery diffusion is studied by kinetic Monte Carlo (KMC) simulations and continuum theory. The energetics of the KMC model is adapted to the Cu(100) surface,…
Several quantum critical compounds have been argued to have multiple instabilities towards orders with distinct dynamical exponents. We present an analysis of a quantum multicritical point in an itinerant magnet with competition between…
The physics of strongly correlated quantum particles within a flat band was originally explored as a route to itinerant ferromagnetism and, indeed, a celebrated theorem by Lieb rigorously establishes that the ground state of the repulsive…
Monte Carlo simulations, in which the Schrodinger equation is solved at each Monte Carlo sweep, are employed to assess the influence of magnetization fluctuations,short-range antiferromagnetic interactions, disorder, magnetic polaron…
The anisotropic degenerate two-orbital Hubbard model is studied within dynamical mean-field theory at low temperatures. High-precision calculations on the basis of a refined quantum Monte Carlo (QMC) method reveal that two distinct…
Efficient uncertainty quantification algorithms are key to understand the propagation of uncertainty -- from uncertain input parameters to uncertain output quantities -- in high resolution mathematical models of brain physiology. Advanced…
At low temperatures $T$ where $1/T=\beta\gg1$ the na\"ive implementation of determinant quantum Monte Carlo (DQMC) methods suffers from loss of precision and numerical instabilities when evaluating the fermion determinant. This instability…
We investigate the nonequilibrium phenomena through the quantum dot coupled to the normal and superconducting leads using a weak-coupling continuous-time Monte Carlo method. Calculating the time evolution of particle number, double…
Describing correlated electron systems near phase transitions has been a major challenge in computational condensed-matter physics. In this paper, we apply highly accurate fixed node quantum Monte Carlo techniques, which directly work with…
The dynamic disorder model for charge carrier transport in organic semiconductors has been extensively studied in recent years. Although it is successful on determining the value of bandlike mobility in the organic crystalline materials,…
We derive exact, universal, closed-form quantum Monte Carlo estimators for finite-temperature energy susceptibility and fidelity susceptibility, applicable to essentially arbitrary Hamiltonians. Combined with recent advancements in Monte…
Two improved kMC models for investigations of the magnetic properties of finite-size atomic chains are presented. These models take the possible noncollinearity of magnetic moments into account. The spontaneous remagnetization of…
In this work we investigate replacing standard quadrature techniques used in deterministic linear solvers with a fixed-seed Quasi-Monte Carlo calculation to obtain more accurate and efficient solutions to the neutron transport equation…