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While investigating quantum correlations in atomic systems, we note that single measurements contain information about these correlations. Using a simple model of measurement -- analogous to the one used in quantum optics -- we show how to…
A novel mathematical model for fiber-reinforced materials is proposed. It is based on a 1-dimensional beam model for the thin fiber structures, a flexible and general 3-dimensional elasticity model for the matrix and an overlapping domain…
A simple model-independent formula for cross-section asymmetries $A$ in fermion-pair production is derived, which may be used for the analysis of LEP~1 data, $A = \sum_n A_n (s - M_Z^2)^n$. The coefficient $A_0$ depends on the $Z$ boson…
Numerical lattice quantum chromodynamics studies of the strong interaction are important in many aspects of particle and nuclear physics. Such studies require significant computing resources to undertake. A number of proposed methods…
The precise engineering of electromagnetic couplings is paramount for constructing scalable and highfidelity superconducting quantum processors. While essential for orchestrating qubit operations, these couplings also present significant…
Critical decisions frequently rely on high-dimensional output from complex computer simulation models that show intricate cross-variable, spatial and temporal dependence structures, with weather and climate predictions being key examples.…
Approximate Bayesian Computation is widely used to infer the parameters of discrete-state continuous-time Markov networks. In this work, we focus on models that are governed by the Chemical Master Equation (the CME). Whilst originally…
The purpose of this research work is to employ the Optimal Auxiliary Function Method (OAFM) for obtaining numerical approximations of time-dependent nonlinear partial differential equations (PDEs) that arise in many disciplines of science…
Decoherence is a major obstacle to any practical implementation of quantum information processing. One of the leading strategies to reduce decoherence is dynamical decoupling --- the use of an external field to average out the effect of the…
If constraints are imposed on a macromolecule, two inequivalent classical models may be used: the stiff and the rigid one. This work studies the effects of such constraints on the Conformational Equilibrium Distribution (CED) of the model…
This paper describes an efficient and nonlinearly consistent parallel solution methodology for solving coupled nonlinear thermal transport problems that occur in nuclear reactor applications over hundreds of individual 3D physical…
Rapid experimental advances now enable simultaneous electrophysiological recording of neural activity at single-cell resolution across large regions of the nervous system. Models of this neural network activity will necessarily increase in…
This work presents the implementation of a fragment-based, quantum-centric supercomputing workflow for computing molecular electronic structure using quantum hardware. The workflow is applied to predict the relative energies of two…
McDonald, Pestana and Wathen (SIAM J. Sci. Comput. 40(2), pp. A2012-A1033, 2018) present a method for preconditioning of time-dependent PDEs via approximation by a nearby time-periodic problem, that is, they employ circulant-related…
We propose to utilize NISQ-era quantum devices to compute short distance quantities in $(2+1)$-dimensional QED and to combine them with large volume Monte Carlo simulations and perturbation theory. On the quantum computing side, we perform…
A mean-field plus pairing model for atomic nuclei in the Fe region was studied using a finite-temperature quantum Monte-Carlo method. We present results for thermodynamical quantities such as the internal energy and the specific heat. These…
This work focuses on model preparation for electrostatic simulations of CAD designs to realize a rapid virtual prototyping concept. We present a boundary element method (BEM) allowing discontinuous fields between surfaces. The corresponding…
We consider a (possibly) nonlinear interface problem in 2D and 3D, which is solved by use of various adaptive FEM-BEM coupling strategies, namely the Johnson-N\'ed\'elec coupling, the Bielak-MacCamy coupling, and Costabel's symmetric…
In electromagnetic analysis, the finite element and boundary element methods jointly known as 'FEM-BEM coupling' is applied for numerically solving levitation problem based on eddy current. The main focus behind this coupled analysis method…
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can reproduce not only the heat of mixing of the solid solution…