Related papers: A Scalable Configuration-Interaction Impurity Solv…
We introduce a numerically exact real-time evolution scheme for quantum impurities in a macroscopically large bath. The algorithm is few-body revealing, namely it identifies the electronic orbitals that can be made inactive (in a trivial…
We present a differentiable dynamics solver that is able to handle frictional contact for rigid and deformable objects within a unified framework. Through a principled mollification of normal and tangential contact forces, our method…
Fluid-Structure Interaction (FSI) is a crucial problem in ocean engineering. The smoothed particle hydrodynamics (SPH) method has been employed recently for FSI problems in light of its Lagrangian nature and its advantage in handling…
Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in solving quantum impurity models numerically. Hybrid…
A model subspace configuration interaction method is developed to obtain chemically accurate electron correlations by diagonalising a very compact effective Hamiltonian of realistic molecule. The construction of the effective Hamiltonian is…
Cluster Dynamical Mean-Field Theory (CDMFT) with an Exact Diagonalization (ED) impurity solver faces exponential scaling limitations from the Hilbert space dimension. We introduce Subbath CDMFT (SB-CDMFT), an alternative to the conventional…
Combinatorial optimization with a smooth and convex objective function arises naturally in applications such as discrete mean-variance portfolio optimization, where assets must be traded in integer quantities. Although optimal solutions to…
A new stochastic control model for the long-run environmental management of rivers is mathematically and numerically analyzed, focusing on a modern sediment replenishment problem with unique nonsmooth and nonlinear properties. Rational…
We present a new continuous time solver for quantum impurity models such as those relevant to dynamical mean field theory. It is based on a stochastic sampling of a perturbation expansion in the impurity-bath hybridization parameter.…
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…
We demonstrate that the Configuration Interaction (CI) Approximation recaptures essential features of the exact (Bethe Ansatz) solution to the 1D Hubbard model. As such, it provides valuable route for describing effects which go beyond…
Interest has been growing in decision-focused machine learning methods which train models to account for how their predictions are used in downstream optimization problems. Doing so can often improve performance on subsequent decision…
We present a next-generation version of EDIpack, a flexible, high-performance numerical library using Lanczos-based exact diagonalization to solve generic quantum impurity problems, such as those introduced in Dynamical Mean-Field Theory to…
We present a hardware-reconfigurable ansatz on $N_q$-qubits for the variational preparation of many-body states of the Anderson impurity model (AIM) with $N_{\text{imp}}+N_{\text{bath}}=N_q/2$ sites, which conserves total charge and spin…
Large language models now write software, draft legal documents, and produce clinical notes, yet fundamental limits, from Turing and Arrow to the No Free Lunch theorems, shape what computation can do. This thesis turns such impossibility…
Accurate relative orbit determination is a significant challenge in modern space operations, particularly when relying only on angular measurements. The inherent observability limitations of this approach make initial state estimation…
We study the non-equilibrium dynamics of an impurity in an harmonic trap that is kicked with a well-defined quasi-momentum, and interacts with a bath of free fermions or interacting bosons in a 1D lattice configuration. Using numerical and…
Analytical complexity of quantum wavefunction whose argument is extended into the complex plane provides an important information about the potentiality of manifesting complex quantum dynamics such as time-irreversibility, dissipation and…
Understanding the dynamics of dissipative quantum systems, particularly beyond the weak coupling approximation, is central to various quantum applications. While numerically exact methods provide accurate solutions, they often lack the…
Full configuration interaction (FCI) solvers are limited to small basis sets due to their expensive computational costs. An optimal orbital selection for FCI (OptOrbFCI) is proposed to boost the power of existing FCI solvers to pursue the…