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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…

材料科学 · 物理学 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…

最优化与控制 · 数学 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…

数值分析 · 数学 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…

化学物理 · 物理学 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…

最优化与控制 · 数学 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…

介观与纳米尺度物理 · 物理学 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…

数值分析 · 数学 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…

量子物理 · 物理学 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…

化学物理 · 物理学 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…

量子物理 · 物理学 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…

最优化与控制 · 数学 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…

最优化与控制 · 数学 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…

数值分析 · 数学 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…

高能物理 - 唯象学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

化学物理 · 物理学 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…

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…

化学物理 · 物理学 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…

信息论 · 计算机科学 2014-04-30 Veeresh Taranalli , Paul H. Siegel