Related papers: Operator Lanczos Approach enabling Neural Quantum …

Network quantization allows inference to be conducted using low-precision arithmetic for improved inference efficiency of deep neural networks on edge devices. However, designing aggressively low-bit (e.g., 2-bit) quantization schemes on…

Quantum impurity models describe interactions between some local degrees of freedom and a continuum of non-interacting fermionic or bosonic states. The investigation of quantum impurity models is a starting point towards the understanding…

We introduce a novel framework for uncertainty quantification of solution operators associated with stochastic partial differential equations (SPDEs). Although SPDEs play a central role in modeling complex physical systems under…

We present a time-domain iteration scheme for solving the Dynamical Mean-Field Theory (DMFT) self-consistent equations using retarded Green's functions in real time. Unlike conventional DMFT approaches that operate in imaginary time or…

Quantum state preparation is a key step in all digital quantum simulation algorithms. Here we propose methods to initialize on a gate-based quantum computer a general class of quantum spin wave functions, the so-called Valence-Bond-Solid…

A versatile and efficient variational approach is developed to solve in- and out-of-equilibrium problems of generic quantum spin-impurity systems. Employing the discrete symmetry hidden in spin-impurity models, we present a new canonical…

The density-matrix renormalization group (DMRG) algorithm can be adapted to the calculation of dynamical correlation functions in various ways which all represent compromises between computational efficiency and physical accuracy. In this…

The Liouville-Lanczos approach to linear-response time-dependent density-functional theory is generalized so as to encompass electron energy-loss and inelastic X-ray scattering spectroscopies in periodic solids. The computation of virtual…

This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…

We report on a quantum-classical simulation of the single-band Hubbard model using two-site dynamical mean-field theory (DMFT). Our approach uses IBM's superconducting qubit chip to compute the zero-temperature impurity Green's function in…

Local density approximation (LDA) to the density functional theory (DFT) has continuous derivative of total energy as a number of electrons function and continuous exchange-correlation potential, while in exact DFT both should be…

We present a deterministic optimization framework for Neural Network Quantum States (NQS) designed to bypass the sampling variance and slow mixing issues inherent in stochastic optimization. By projecting a neural backflow ansatz onto…

We improve the convergence of the Lanczos algorithm using the matrix product state representation. As an alternative to the density matrix renormalization group (DMRG), the Lanczos algorithm avoids local minima and can directly find…

Simulating quantum many-body systems is believed to be one of the most promising applications of near-term noisy quantum computers. However, in the near term, system size limitation will remain a severe barrier for applications in materials…

It is shown that a minimum realization of the dynamical mean-field theory (DMFT) can be achieved by mapping a correlated lattice model onto an impurity model in which the impurity is coupled to an uncorrelated bath that consists of a single…

We show that the standard Lanczos algorithm can be efficiently implemented statistically and self consistently improved, using the stochastic reconfigurat ion method, which has been recently introduced to stabilize the Monte Carlo sign…

For some years Lanczos moments methods have been combined with large-scale shell-model calculations in evaluations of the spectral distributions of certain operators. This technique is of great value because the alternative, a…

We propose an out-of-equilibrium impurity model for the dynamical mean-field description of the Hubbard model driven by a finite electric field. The out-of-equilibrium impurity environment is represented by a collection of equilibrium…

We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the…

The nonlinear Schr\"odinger equation (NLSE) underpins nonlinear wave phenomena in optics, Bose-Einstein condensates, and plasma physics, but computing its excited states remains challenging due to nonlinearity-induced non-orthonormality.…