Related papers: Variational Determination of the Two-Electron Redu…
In this work, we simulate the electron dynamics in molecular systems with the Time-Dependent Density Matrix Renormalization Group (TD-DMRG) algorithm. We leverage the generality of the so-called tangent-space TD-DMRG formulation and design…
As its name suggests, sufficient dimension reduction (SDR) targets to estimate a subspace from data that contains all information sufficient to explain a dependent variable. Ample approaches exist to SDR, some of the most recent of which…
We present a contribution to the field of system identification of partial differential equations (PDEs), with emphasis on discerning between competing mathematical models of pattern-forming physics. The motivation comes from developmental…
This work investigates two physics-based models that simulate the non-linear partial differential algebraic equations describing an electric double layer supercapacitor. In one model the linear dependence between electrolyte concentration…
We propose and work out a reduced density matrix functional theory (RDMFT) for calculating energies of eigenstates of interacting many-electron systems beyond the ground state. Various obstacles which historically have doomed such an…
We present a collection of algorithms which utilize dimensional reduction to perform mesh refinement and study possibly singular solutions of time-dependent partial differential equations. The algorithms are inspired by constructions used…
Energy-based latent variable models (EBLVMs) are more expressive than conventional energy-based models. However, its potential on visual tasks are limited by its training process based on maximum likelihood estimate that requires sampling…
Dry Electric Discharge Machining (EDM) is an environment-friendly modification of the conventional EDM process, which is obtained by replacing the liquid dielectric by a gaseous medium. In this study, multi-objective optimization of dry EDM…
In recent years, machine learning models, chiefly deep neural networks, have revealed suited to learn accurate energy-density functionals from data. However, problematic instabilities have been shown to occur in the search of ground-state…
The recent discovery of two-dimensional (2D) van der Waals (vdW) magnetic materials has provided new, unprecedented opportunities for both fundamental science and technological applications. Unlike three-dimensional (3D) magnetic systems,…
The increased sensitivity of future radio telescopes will result in requirements for higher dynamic range within the image as well as better resolution and immunity to interference. In this paper we propose a new matrix formulation of the…
The existence of multipath brings extra "looks" of targets. This paper considers the extended target detection problem with a narrow band Multiple-Input Multiple-Output(MIMO) radar in the presence of multipath from the view of…
Partial Differential Equations (PDE) are fundamental to model different phenomena in science and engineering mathematically. Solving them is a crucial step towards a precise knowledge of the behaviour of natural and engineered systems. In…
This document contains working annotations on the Virtual Element Method (VEM) for the approximate solution of diffusion problems with variable coefficients. To read this document you are assumed to have familiarity with concepts from the…
This paper presents a computationally efficient decoder for multiple antenna systems. The proposed algorithm can be used for any constellation (QAM or PSK) and any labeling method. The decoder is based on matrix-lifting Semi-Definite…
Reduced density-matrix functional theory (RDMFT) is a promising alternative approach to the problem of electron correlation. Like standard density functional theory, it contains an unknown exchange-correlation functional, for which several…
We explore two primary classes of approaches to dimensionality reduction (DR): Independent Dimensionality Reduction (IDR) and Simultaneous Dimensionality Reduction (SDR). In IDR methods, of which Principal Components Analysis is a…
Using first-principles atomistic simulations, we study the response of atomically-thin layers of transition metal dichalcogenides (TMDs) - a new class of two-dimensional inorganic materials with unique electronic properties - to electron…
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…
Strongly correlated electron systems are challenging to calculate, and entanglement in such systems is not widely analyzed. We present an approach that can be used as a post-processing step for calculating the two-site reduced density…