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Motivated by applications in emergency response and experimental design, we consider smooth stochastic optimization problems over probability measures supported on compact subsets of the Euclidean space. With the influence function as the…
This paper is concerned with inverse scattering of plane waves by a locally perturbed infinite plane (which is called a locally rough surface) with the modulus of the total-field data (also called the phaseless near-field data) at a fixed…
This work proposes linear time strategies to optimally configure the phase shifts for the reflective elements of an intelligent reflecting surface (IRS). Specifically, we show that the binary phase beamforming can be optimally solved in…
Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of molecules in quantum chemistry. In this work we present a…
We consider the estimation of parameter-dependent statistics of functional outputs of elliptic boundary value problems (BVPs) with parametrized random and deterministic inputs. For a given value of the deterministic paremeter, a stochastic…
We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…
In this work we combine the framework of the Reduced Basis method (RB) with the framework of the Localized Orthogonal Decomposition (LOD) in order to solve parametrized elliptic multiscale problems. The idea of the LOD is to split a high…
This study delves into the radiation pattern synthesis of reconfigurable intelligent surfaces (RIS) / reflection metasurfaces. Through superimposing multiple single-reflection profiles, which comprise the amplitude and/or phase settings of…
In quantum mechanics, the Schrieffer--Wolff (SW) transformation (also called quasi-degenerate perturbation theory) is known as an approximative method to reduce the dimension of the Hamiltonian. We present a geometric interpretation of the…
We analyze the Scherk-Schwarz (SS) supersymmetry breaking in brane-world five dimensional theories compactified on the orbifold $S^1/\mathbb{Z}_2$. The SS breaking parameter is undetermined at the tree-level (no-scale supergravity) and can…
A computational PDE-constrained optimization approach is proposed for optimal trajectory planning under uncertainty by means of an associated Schroedinger Bridge Problem (SBP). The proposed SBP formulation is interpreted as the mean-field…
As the first component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory (DFT) for isolated…
Efficient implementations of electronic structure methods are essential for first-principles modeling of molecules and solids. We here present a particularly efficient common framework for methods beyond semilocal density-functional theory,…
We investigate the dependence of s-wave meson-baryon scattering amplitudes on different regularizations within the framework of the chiral unitary model. We employ two different regularization schemes, i.e. dimensional and form-factor…
Scattering problems for periodic structures have been studied a lot in the past few years. A main idea for numerical solution methods is to reduce such problems to one periodicity cell. In contrast to periodic settings, scattering from…
Nonlinear dimensionality reduction embeddings computed from datasets do not provide a mechanism to compute the inverse map. In this paper, we address the problem of computing a stable inverse map to such a general bi-Lipschitz map. Our…
We study the transformation properties of the electron states in crystals with spin-orbit coupling, focusing primarily on the limitations of the frequently used pseudospin-1/2 description of twofold degenerate Bloch bands. Using the…
While inverse estimates in the context of radial basis function approximation on boundary-free domains have been known for at least ten years, such theorems for the more important and difficult setting of bounded domains have been notably…
We derive analytical solutions based on singular Green's functions, which enable efficient computations of scattering simulations or Floquet-Bloch dispersion relations for waves propagating through an elastic plate, whose surface is…
We employ singular value decomposition (SVD) to study the eigenvalue spectra of random spin systems. By SVD, eigenvalue spectrum is decomposed into orthonormal modes $W_k$ with weight $\lambda_k$. We show that the scree plot ($\lambda_k$…