相关论文: A real-frequency solver for the Anderson impurity …

We study the dynamics of a mobile impurity in a two-leg bosonic ladder. The impurity moves both along and across the legs and interacts with a bath of interacting bosonic particles present in the ladder. We use both analytical…

We propose a physics-informed neural network (PINN) model to efficiently predict the self-energy of Anderson impurity models (AIMs) based on the Lehmann representation. As an example, we apply the PINN model to a single-orbital AIM (SAIM)…

The M-channel Anderson impurity model (M=1,2) is studied in the Kondo limit with a finite voltage bias applied to the conduction electron reservoirs. Using the Non-Crossing Approximation (NCA), we calculate the local spectral functions, the…

We generalize the multiband typical medium dynamical cluster approximation and the formalism introduced by Blackman, Esterling and Berk so that it can deal with localization in multiband disordered systems with both diagonal and…

We introduce a quantum Monte Carlo technique to calculate exactly at finite temperatures the Green function of a fermionic quantum impurity coupled to a bosonic field. While the algorithm is general, we focus on the single impurity Anderson…

The ill-posed analytic continuation problem for Green's functions and self-energies is investigated by revisiting the Pad\'{e} approximants technique. We propose to remedy the well-known problems of the Pad\'{e} approximants by performing…

Inverse design of complex flows is notoriously challenging because of the high cost of high dimensional optimization. Usually, optimization problems are either restricted to few control parameters, or adjoint-based approaches are used to…

In multi-resolution simulations, different system components are simultaneously modelled at different levels of resolution, these being smoothly coupled together. In the case of enzyme systems, computationally expensive atomistic detail is…

This PhD thesis conducts a focused study of strongly correlated materials with localized electron orbitals. We have studied two real materials (LuNiO$_3$ and VO$_2$) and one model system, i.e., the Anderson impurity model. The thesis is…

The structure and function of biological molecules are strongly influenced by the water and dissolved ions that surround them. This aqueous solution (solvent) exerts significant electrostatic forces in response to the biomolecule's…

A new numerical method for the solution of the Dynamical Mean Field Theory's self-consistent equations is introduced. The method uses the Density Matrix Renormalization Group technique to solve the associated impurity problem. The new…

This paper presents a novel boundary integral equation (BIE) formulation for the two-dimensional time-harmonic water-waves problem. It utilizes a complex-scaled Laplace's free-space Green's function, resulting in a BIE posed on the infinite…

Approximated numerical techniques, for the solution of the elastic wave scattering problem over semi-infinite domains are reviewed. The approximations involve the representation of the half-space by a boundary condition described in terms…

Quantitative simulation of electronic structure of solids requires treating local and non-local electron correlations on an equal footing. We present a new ab initio formulation of Green's function embedding which, unlike dynamical…

Immersed boundary methods have attracted substantial interest in the last decades due to their potential for computations involving complex geometries. Often these cannot be efficiently discretized using boundary-fitted finite elements.…

Within the recently introduced auxiliary master equation approach it is possible to address steady state properties of strongly correlated impurity models, small molecules or clusters efficiently and with high accuracy. It is particularly…

The exact Green's functions of the periodic Anderson model for $U\to \infty $ are formally expressed within the cumulant expansion in terms of an effective cumulant. Here we resort to a calculation in which this quantity is approximated by…

In this work we explore the fidelity of numerical approximations to the analytic spectra of hyperbolic partial differential equation systems with variable coefficients. We are particularly interested in the ability of discrete methods to…

We discuss the recently developed bosonic dynamical mean-field (B-DMFT) framework, which maps a bosonic lattice model onto the selfconsistent solution of a bosonic impurity model with coupling to a reservoir of normal and condensed bosons.…

We introduce a neural network impurity solver for real-frequency DMFT that employs a multihead cross-attention mechanism to map hybridization functions to spectral functions, conditioned on impurity parameters. Trained on high-quality MPS…