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While the dynamics of many complex systems is dominated by activated events, there are very few simulation methods that take advantage of this fact. Most of these procedures are restricted to relatively simple systems or, as with the…

Materials Science · Physics 2009-11-11 Henk Vocks , M. V. Chubynsky , G. T. Barkema , Normand Mousseau

Monotone inclusions have wide applications in solving various convex optimization problems arising in signal and image processing, machine learning, and medical image reconstruction. In this paper, we propose a new splitting algorithm for…

Optimization and Control · Mathematics 2020-09-29 Hui Yu , Chunxiang Zong , Yuchao Tang

We present a detailed convergence analysis for an operator splitting scheme proposed in [C. Liu et al.,J. Comput. Phys., 436, 110253, 2021] for a reaction-diffusion system with detailed balance. The numerical scheme has been constructed…

Numerical Analysis · Mathematics 2021-05-21 Chun Liu , Cheng Wang , Yiwei Wang , Steven M. Wise

The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…

Chemical Physics · Physics 2017-03-23 Venkat Kapil , Jörg Behler , Michele Ceriotti

We propose a splitting algorithm for solving a system of composite monotone inclusions formulated in the form of the extended set of solutions in real Hilbert spaces. The resluting algorithm is a an extension of the algorithm in [4]. The…

Optimization and Control · Mathematics 2013-08-14 Dinh Dung , Bang Cong Vu

A semiconductor quantum dot (QD) embedded within an optical microcavity is a system of fundamental importance within quantum information processing. The optimization of quantum coherence is crucial in such applications, requiring an…

Mesoscale and Nanoscale Physics · Physics 2020-02-06 A. Morreau , C. Joshi , E. A. Muljarov

Summation-by-parts (SBP) operators are finite-difference operators that mimic integration by parts. This property can be useful in constructing energy-stable discretizations of partial differential vequations. SBP operators are defined by a…

Numerical Analysis · Mathematics 2015-05-14 Jason E. Hicken , David W. Zingg

Solving a Poisson equation is generally reduced to solving a linear system with a coefficient matrix $A$ of entries $a_{ij}$, $i,j=1,2,...,n$, from the discretized Poisson equation. Although the variational quantum algorithms are promising…

Quantum Physics · Physics 2023-09-25 Hui-Min Li , Zhi-Xi Wang , Shao-Ming Fei

Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering. In this work, we show that compressed sensing can…

Chemical Physics · Physics 2015-06-05 X. Andrade , J. N. Sanders , A. Aspuru-Guzik

In this paper we propose a scheme to model the phonon analog of optical elements, including a polarizing beam splitter, a half- wave plate, and a quarter- wave plate, as well as an implementation of CNOT and Pauli gates, by using two atoms…

Quantum Physics · Physics 2017-08-30 Naieme Mohseni , Marjan Fani , Jonathan P. Dowling , Shahpoor Saeidian

We propose an abstract stochastic scheme for solving a broad range of monotone operator inclusion problems in Hilbert spaces. This framework allows for the introduction of stochasticity at several levels in monotone operator splitting…

Optimization and Control · Mathematics 2026-02-13 Patrick L. Combettes , Javier I. Madariaga

AC-OPF (Alternative Current Optimal Power Flow)aims at minimizing the operating costs of a power gridunder physical constraints on voltages and power injections.Its mathematical formulation results in a nonconvex polynomial…

Optimization and Control · Mathematics 2023-05-31 Adrien Le Franc , Victor Magron , Jean-Bernard Lasserre , Manuel Ruiz , Patrick Panciatici

Stochastic reaction networks governed by Chemical Langevin Equations (CLE) exhibit pronounced multiscale dynamics spanning fast molecular reactions, intermediate transport, and slow cellular regulation, posing significant challenges for…

Numerical Analysis · Mathematics 2026-04-02 Yuming Zeng , Wei Xie , Keqi Wang

Using a simple picture of the constituent quark as a composite system of point-like partons, we construct the polarized parton distributions by a convolution between constituent quark momentum distributions and constituent quark structure…

High Energy Physics - Phenomenology · Physics 2011-07-19 Sergio Scopetta , Vicente Vento , Marco Traini

When the sizes of photonic nanoparticles are much smaller than the excitation wavelength, their optical response can be efficiently described with a series of polarizability tensors. Here, we propose a universal method to extract the…

Mesoscale and Nanoscale Physics · Physics 2020-06-22 Adelin Patoux , Clément Majorel , Peter R. Wiecha , Aurélien Cuche , Otto L. Muskens , Christian Girard , Arnaud Arbouet

The account of electron correlation and its efficient separation into dynamic and nondynamic parts plays a key role in the development of computational methods. In this paper we suggest a physically-sound matrix formulation to split…

Chemical Physics · Physics 2016-08-16 Eloy Ramos-Cordoba , Pedro Salvador , Eduard Matito

In this paper we mathematically characterize through a Lie formalism the local errors induced by operator splitting when solving nonlinear reaction-diffusion equations, especially in the non-asymptotic regime. The non-asymptotic regime is…

Numerical Analysis · Mathematics 2015-08-21 Stéphane Descombes , Max Duarte , Thierry Dumont , Frédérique Laurent , Violaine Louvet , Marc Massot

Closed-form, analytical approximations for electrostatic properties of molecules are of unique value, as these can provide computational speed, versatility, and physical insight. Here, we derive a simple, closed-form formula for the…

Chemical Physics · Physics 2022-03-14 Dan Folescu , Alexey V. Onufriev

We introduce a combined density functional theory (DFT) and non-equilibrium Green's function (NEGF) framework to compute the capacitance of nanocapacitors and directly extract the dielectric response of a sub-nanometer dielectric under…

Polar codes are high density parity check codes and hence the sparse factor graph, instead of the parity check matrix, has been used to practically represent an LP polytope for LP decoding. Although LP decoding on this polytope has the…

Information Theory · Computer Science 2014-04-30 Veeresh Taranalli , Paul H. Siegel