Related papers: An additive two-level parallel variant of the DMRG…
This paper develops a new algebraic multigrid (AMG) method for sparse least-squares systems of the form $A=G^TG$ motivated by challenging applications in scientific computing where classical AMG methods fail. First we review and relate the…
We study two-stage stochastic optimization models with mixed-integer decision variables appearing in both stages. For these models, dual decomposition enables parallel computing implementation and can quickly provide a lower bound for the…
While Graph Neural Networks (GNNs) are popular in the deep learning community, they suffer from several challenges including over-smoothing, over-squashing, and gradient vanishing. Recently, a series of models have attempted to relieve…
This thesis gives an extension for the Density Matrix Renormalisation Group (DMRG) to two dimensions and described a newly developed combination of the DMRG and a Green Function Monte Carlo simulation (GFMC). The first two chapters focus on…
We study the application of the density matrix renormalization group (DMRG) to systems with one-dimensional acoustic phonons. We show how the use of a local oscillator basis circumvents the difficulties with the long-range interactions…
A modified density matrix renormalization group (DMRG) method is introduced and applied to classical two-dimensional models: the anisotropic triangular nearest- neighbor Ising (ATNNI) model and the anisotropic triangular…
Domain decomposition (DD) methods are a natural way to take advantage of parallel computers when solving large scale linear systems. Their scalability depends on the design of the coarse space used in the two-level method. The analysis of…
A major advance in density-matrix renormalization group (DMRG) calculations has been achieved by the invention of highly efficient DMRG techniques for the simulation of real-time dynamics of strongly correlated quantum systems in one…
We introduce the Nuclear Electronic All-Particle Density Matrix Renormalization Group (NEAP-DMRG) method for solving the time-independent Schr\"odinger equation simultaneously for electrons and other quantum species. In contrast to already…
We develop a correction to the density matrix used in density matrix renormalization group calculations to take into account the incompleteness of the environment block. The correction allows successful calculations using only a single site…
We present the theory of a density matrix renormalization group (DMRG) algorithm which can solve for both the ground and excited states of non-Hermitian transcorrelated Hamiltonians, and show applications in \emph{ab initio} molecular…
The density matrix renormalization group (DMRG) method has already proved itself as a very efficient and accurate computational method, which can treat large active spaces and capture the major part of strong correlation. Its application on…
We introduce a strictly single-site DMRG algorithm based on the subspace expansion of the Alternating Minimal Energy (AMEn) method. The proposed new MPS basis enrichment method is sufficient to avoid local minima during the optimisation,…
Obtaining accurate representations of the eigenstates of an array of coupled superconducting qubits is a crucial step in the design of circuit quantum electrodynamics (QED)-based quantum processors. However, exact diagonalization of the…
The numerical study of anyonic systems is known to be highly challenging due to their non-bosonic, non-fermionic particle exchange statistics, and with the exception of certain models for which analytical solutions exist, very little is…
I present a density-matrix renormalization-group (DMRG) method for calculating dynamical properties and excited states in low-dimensional lattice quantum many-body systems. The method is based on an exact variational principle for dynamical…
The infinite Density Matrix Renormalisation Group (iDMRG) algorithm is a highly successful numerical algorithm for the study of low-dimensional quantum systems, and is also frequently used to initialise the more popular finite DMRG…
The two-level overlapping additive Schwarz method offers a robust and scalable preconditioner for various linear systems resulting from elliptic problems. One of the key to these properties is the construction of the coarse space used to…
Configuration-interaction-type calculations on electronic and vibrational structure are often the method of choice for the reliable approximation of many-particle wave functions and energies. The exponential scaling, however, limits their…
The vast majority of Dimensionality Reduction (DR) techniques rely on second-order statistics to define their optimization objective. Even though this provides adequate results in most cases, it comes with several shortcomings. The methods…