Related papers: Orbital-enriched Flat-top Partition of Unity Metho…
We present a computational scheme for orbital-free density functional theory (OFDFT) that simultaneously provides access to all-electron values and preserves the OFDFT linear scaling as a function of the system size. Using the projector…
Recently increasing penetration of renewable energy generation brings challenges for power system operators to perform efficient power generation daily scheduling, due to the intermittent nature of the renewable generation and discrete…
In this paper we propose a new stable and accurate approximation technique which is extremely effective for interpolating large scattered data sets. The Partition of Unity (PU) method is performed considering Radial Basis Functions (RBFs)…
We use the "tridiagonal representation approach" to solve the time-independent Schr\"odinger equation for bound states in a basis set of finite size. We obtain two classes of solutions written as finite series of square integrable functions…
Density matrix electronic structure theory is used in many quantum chemistry methods to "alleviate" the computational cost that arises from directly using wave functions. Although density matrix based methods are computationally more…
The solution of option-pricing problems may turn out to be computationally demanding due to non-linear and path-dependent payoffs, the high dimensionality arising from multiple underlying assets, and sophisticated models of price dynamics.…
The singularities that arise in elliptic boundary value problems are treated locally by a singular function boundary integral method. This method extracts the leading singular coefficients from a series expansion that describes the local…
We consider the numerical solution of partial differential equations with coefficients that are strongly heterogeneous in space. We provide an overview of higher-order localized orthogonal decomposition (LOD) methods for the elliptic…
This work develops an epsilon-uniform finite element method for singularly perturbed boundary value problems. A surprising and remarkable observation is illustrated: By moving one node arbitrarily in between its adjacent nodes, the new…
In this paper, we discuss the application of the Generalized Finite Element Method (GFEM) to approximate the solutions of quasilinear elliptic equations with multiple interfaces in one dimensional space. The problem is characterized by…
In this paper, we consider the unique continuation problem for the Schr\"odinger equations. We prove a H\"older type conditional stability estimate and build up a parameterized stabilized finite element scheme adaptive to the \textit{a…
In this paper we show that we can use a modified version of the h-p spectral element method proposed in \cite{duttora1,duttom,duttora2,tomarth} to solve elliptic problems with general boundary conditions to exponential accuracy on polygonal…
The three-body scattering problem in Coulombic systems is widespread, however yet unresolved problem by the mathematically rigorous methods. In this work this long term challenge has been undertaken by combining distorted waves and…
We present a quantum computational framework that systematically converts classical linear iterative algorithms with fixed iteration operators into their quantum counterparts using the Schr\"odingerization technique [Shi Jin, Nana Liu and…
We consider fourth order singularly perturbed boundary value problems with two small parameters, and the approximation of their solution by the $hp$ version of the Finite Element Method on the {\emph{Spectral Boundary Layer}} mesh from…
We study the non-equilibrium dynamics obtained by an abrupt change (a {\em quench}) in the parameters of an integrable classical field theory, the nonlinear Schr\"odinger equation. We first consider explicit one-soliton examples, which we…
Meshfree radial basis function (RBF) methods are popular tools used to numerically solve partial differential equations (PDEs). They take advantage of being flexible with respect to geometry, easy to implement in higher dimensions, and can…
A finite element methodology for large classes of variational boundary value problems is defined which involves discretizing two linear operators: (1) the differential operator defining the spatial boundary value problem; and (2) a Riesz…
In this work, we investigate the dynamics of an inhomogeneous coupled nonlinear Schrodinger system with quadratic-type interactions. Such systems arise naturally in nonlinear dynamics and mathematical physics, particularly in nonlinear…
The simulation of chemistry is among the most promising applications of quantum computing. However, most prior work exploring algorithms for block-encoding, time-evolving, and sampling in the eigenbasis of electronic structure Hamiltonians…