Related papers: Cluster Algorithms for Quantum Impurity Models and…
Recent improvements in control of quantum systems make it seem feasible to finally build a quantum computer within a decade. While it has been shown that such a quantum computer can in principle solve certain small electronic structure…
An investigation is presented of the utility of semiclassical approximations for solving the quantum-impurity problems arising in the dynamical-mean-field approach to the correlated-electron models. The method is based on performing a exact…
Among many clustering algorithms, the K-means clustering algorithm is widely used because of its simple algorithm and fast convergence. However, this algorithm suffers from incomplete data, where some samples have missed some of their…
We present a quantum embedding methodology to resolve the Anderson impurity model in the context of dynamical mean-field theory, based on an extended exact diagonalization method. Our method provides a maximally localized quantum impurity…
Quantum embedding methods, such as dynamical mean-field theory (DMFT), provide a powerful framework for investigating strongly correlated materials. A central computational bottleneck in DMFT is in solving the Anderson impurity model (AIM),…
We discuss recently introduced numerical linked-cluster (NLC) algorithms that allow one to obtain temperature-dependent properties of quantum lattice models, in the thermodynamic limit, from exact diagonalization of finite clusters. We…
We use the fuzzy-sphere approach to study the Bose-Kondo impurity problem, namely a spin-$S$ impurity coupled to the $(2+1)$-dimensional $O(3)$ Wilson-Fisher CFT (Heisenberg universality class). We demonstrate that for $S=1/2,1,3/2$ the…
Subspace clustering algorithms are notorious for their scalability issues because building and processing large affinity matrices are demanding. In this paper, we introduce a method that simultaneously learns an embedding space along…
Many spin systems affected by critical slowing down can be efficiently simulated using cluster algorithms. Where such systems have long-range interactions, suitable formulations can additionally bring down the computational effort for each…
Spin systems with frustration and disorder are notoriously difficult to study both analytically and numerically. While the simulation of ferromagnetic statistical mechanical models benefits greatly from cluster algorithms, these accelerated…
Cluster algorithms for classical and quantum spin systems are discussed. In particular, the cluster algorithm is applied to classical O(N) lattice actions containing interactions of more than two spins. The performance of the multi-cluster…
Given the ubiquity of lattice models in physics, it is imperative for researchers to possess robust methods for quantifying clusters on the lattice --- whether they be Ising spins or clumps of molecules. Inspired by biophysical studies, we…
Global optimization is an active area of research in atomistic simulations, and many algorithms have been proposed to date. A prominent example is basin hopping Monte Carlo, which performs a modified Metropolis Monte Carlo search to explore…
Recent developments in quantum hardware and quantum algorithms have made it possible to utilize the capabilities of current noisy intermediate-scale quantum devices for addressing problems in quantum chemistry and condensed matter physics.…
We study systems of multiple interacting quantum impurities deposited on a metallic surface in a 3D host. For the real-space two-impurity problem, using numerical renormalization group calculations, a rich range of behavior is shown to…
We review some exact results on Kondo impurity systems derived from Bethe-ansatz solutions and boundary conformal field theory with particular emphasis on universal aspects of the phenomenon. The finite-size spectra characterizing the…
How many magnetic moments periodically arranged on a metallic surface are needed to generate a coherent Kondo lattice behavior? We investigate this fundamental issue within the particle-hole symmetric Kondo lattice model using quantum Monte…
An integrable Anderson-like impurity model in a correlated host is derived from a gl(2$|$1)-symmetric transfer matrix by means of the Quantum-Inverse-Scattering-Method (QISM). Using the Quantum Transfer Matrix technique, free energy…
Metal Organic Frameworks (MOFs) are promising materials to help mitigate the effects of global warming by selectively absorbing $\text{CO}_{2}$ for direct capture. Accurate quantum chemistry simulations are a useful tool to help select and…
In this work, we aim to solve a practical use-case of unsupervised clustering which has applications in predictive maintenance in the energy operations sector using quantum computers. Using only cloud access to quantum computers, we…