Related papers: Computing Arlequin coupling coefficient for concur…
In this work we investigate the numerical identification of the diffusion coefficient in elliptic and parabolic problems using neural networks. The numerical scheme is based on the standard output least-squares formulation where the…
Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a…
Quantum-enhanced auxiliary field quantum Monte Carlo (QC-AFQMC) uses output from a quantum computer to increase the accuracy of its classical counterpart. The algorithm requires the estimation of overlaps between walker states and a trial…
Explicitly correlated quantum chemical calculations require calculations of five types of molecular integrals beyond the standard electron repulsion integrals. We present a novel scheme, which utilises general ideas of the…
The increasing popularity of portable ECG systems and the growing demand for privacy-compliant, energy-efficient real-time analysis require new approaches to signal processing at the point of data acquisition. In this context, the edge…
In this paper, three efficient ensemble algorithms are proposed for fast-solving the random fluid-fluid interaction model. Such a model can be simplified as coupling two heat equations with random diffusion coefficients and a friction…
In the optimization of turbomachinery components, shape sensitivities for fluid dynamical objective functions have been used for a long time. As peak stress is not a differential func- tional of the shape, such highly efficient procedures…
Atomistic/continuum coupling methods aim to achieve optimal balance between accuracy and efficiency. Adaptivity is the key for the efficient implementation of such methods. In this paper, we carry out a rigorous a posteriori analysis of the…
We aim to investigate relationships between select processing parameters or inputs (composition, temperature, annealing time) and two structural parameters, specifically, the mean radius and volume fraction of the Fe$_3$Si nanocrystals. To…
We address and solve a puzzle raised by a recent calculation [1] of the cross-section for particle production in proton-nucleus collisions to next-to-leading order: the numerical results show an un- reasonably large dependence upon the…
Quantum Phase Estimation is a crucial component of several front-running quantum algorithms. Improving the efficiency and accuracy of QPE is currently a very active field of research. In this work, we present a hybrid quantum-classical…
We propose a parallel version of the cross interpolation algorithm and apply it to calculate high-dimensional integrals motivated by Ising model in quantum physics. In contrast to mainstream approaches, such as Monte Carlo and quasi Monte…
We study preconditioners for a model problem describing the coupling of two elliptic subproblems posed over domains with different topological dimension by a parameter dependent constraint. A pair of parameter robust and efficient…
This paper presents a high-order method for solving an interface problem for the Poisson equation on embedded meshes through a coupled finite element and integral equation approach. The method is capable of handling homogeneous or…
This paper discusses several techniques which may be used for applying the coupling method to solutions of stochastic differential equations (SDEs). They all work in dimension $d\ge 1$, although, in $d=1$ the most natural way is to use…
Numerical models based on the finite-element method (FEM) are popular tools for investigating the macroscopic electromagnetic behavior of high-temperature superconductor (HTS) applications. This article explains how to use the $T$-$A$…
Local-nonlocal coupling approaches provide a means to combine the computational efficiency of local models and the accuracy of nonlocal models. To facilitate the coupling of the two models, non-matching grids are often desirable as nonlocal…
To quantify spatial protein-protein proximity (colocalization) in fluorescence microscopic images, cross-correlation and autocorrelation functions were decomposed into fast and slowly decaying components. The fast component results from…
Large computer codes are widely used in engineering to study physical systems. Nevertheless, simulations can sometimes be time-consuming. In this case, an approximation of the code input/output relation is made using a metamodel. Actually,…
QM (quantum mechenics) and MM (molecular mechenics) coupling methods are widely used in simulations of crystalline defects. In this paper, we construct a residual based a posteriori error indicator for QM/MM coupling approximations. We…