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The Coupled-Cluster theory is one of the most successful high precision methods used to solve the stationary Schr\"odinger equation. In this article, we address the mathematical foundation of this theory with focus on the advances made in…

Chemical Physics · Physics 2019-09-04 Andre Laestadius , Fabian M. Faulstich

We consider a coupled system consisting of a kinetic equation coupled to a macroscopic Stokes (or Navier-Stokes) equation and describing the motion of a suspension of rigid rods in gravity. A reciprocal coupling leads to the formation of…

Fluid Dynamics · Physics 2015-10-13 Christiane Helzel , Athanasios E. Tzavaras

In this article a stochastic particle system approximation to the parametric sensitivity in the Smoluchowski coagulation equation is introduced. The parametric sensitivity is the derivative of the solution to the equation with respect to…

Probability · Mathematics 2016-09-08 I. Bailleul , P. L. W. Man , M. Kraft

The conservation laws of continuum mechanic written in an Eulerian frame make no difference between fluids and solids except in the expression of the stress tensors, usually with Newton's hypothesis for the fluids and Helmholtz potentials…

Computational Engineering, Finance, and Science · Computer Science 2017-05-12 Olivier Pironneau

Starting with the exact factorization of the molecular wavefunction, this paper presents the results from the numerical implementation in nonadiabatic molecular dynamics of the recently proposed bohmion method. Within the context of quantum…

Chemical Physics · Physics 2021-10-06 Darryl D. Holm , Jonathan I. Rawlinson , Cesare Tronci

We present an accelerated, or 'look-ahead' version of the Newton-Dinkelbach method, a well-known technique for solving fractional and parametric optimization problems. This acceleration halves the Bregman divergence between the current…

Data Structures and Algorithms · Computer Science 2021-05-24 Daniel Dadush , Zhuan Khye Koh , Bento Natura , László A. Végh

Spectral clustering is one of the most important algorithms in data mining and machine intelligence; however, its computational complexity limits its application to truly large scale data analysis. The computational bottleneck in spectral…

Machine Learning · Computer Science 2015-05-13 Christos Boutsidis , Alex Gittens , Prabhanjan Kambadur

A new class of integro-partial differential equation models is derived for the prediction of granular flow dynamics. These models are obtained using a novel limiting averaging method (inspired by techniques employed in the derivation of…

Chaotic Dynamics · Physics 2015-06-26 Denis Blackmore , Roman Samulyak , Anthony Rosato

The random batch method (RBM) proposed in [Jin et al., J. Comput. Phys., 400(2020), 108877] for large interacting particle systems is an efficient with linear complexity in particle numbers and highly scalable algorithm for $N$-particle…

Numerical Analysis · Mathematics 2024-03-14 Zhenyu Huang , Shi Jin , Lei Li

Problems of particle dynamics involving unsteady Stokes flows in confined geometries are typically harder to solve than their steady counterparts. Approximation techniques are often the only resort. Felderhof (see e.g. 2005, 2009b) has…

Fluid Dynamics · Physics 2018-04-04 Akarsh Simha , Jianyong Mo , Philip J. Morrison

The entropy conservative/stable algorithm of Friedrich~\etal (2018) for hyperbolic conservation laws on nonconforming p-refined/coarsened Cartesian grids, is extended to curvilinear grids for the compressible Euler equations. The primary…

We present a particle method for estimating the curvature of interfaces in volume-of-fluid simulations of multiphase flows. The method is well suited for under-resolved interfaces, and it is shown to be more accurate than the parabolic…

Computational Physics · Physics 2020-01-23 Petr Karnakov , Sergey Litvinov , Petros Koumoutsakos

Wasserstein gradient flows have become a central tool for optimization problems over probability measures. A natural numerical approach is forward-Euler time discretization. We show, however, that even in the simple case where the energy…

Numerical Analysis · Mathematics 2025-10-16 Yewei Xu , Qin Li

We present a new computational methodology for the investigation of gel electrophoresis of polyelectrolytes. We have developed the method initially to incorporate sliding motion of tight parts of a polymer pulled by an electric field into…

Soft Condensed Matter · Physics 2009-10-31 Ryuzo Azuma , Hajime Takayama

We propose a zero-order optimization method for sequential min-max problems based on two populations of interacting particles. The systems are coupled so that one population aims to solve the inner maximization problem, while the other aims…

Optimization and Control · Mathematics 2024-07-25 Giacomo Borghi , Hui Huang , Jinniao Qiu

Ensemble models refer to methods that combine a typically large number of classifiers into a compound prediction. The output of an ensemble method is the result of fitting a base-learning algorithm to a given data set, and obtaining diverse…

Machine Learning · Statistics 2019-06-10 Waldyn Martinez

The active flux (AF) method is a compact high-order finite volume method that simultaneously evolves cell averages and point values at cell interfaces. Within the method of lines framework, the existing Jacobian splitting-based point value…

Numerical Analysis · Mathematics 2025-03-21 Junming Duan , Wasilij Barsukow , Christian Klingenberg

The convergence to the self-consistency in the dynamical-mean-field-theory (DMFT) calculations for models of correlated electron systems can be significantly accelerated by using an appropriate mixing of hybridization functions which are…

Strongly Correlated Electrons · Physics 2009-11-11 Rok Zitko

We propose inertial versions of block coordinate descent methods for solving non-convex non-smooth composite optimization problems. Our methods possess three main advantages compared to current state-of-the-art accelerated first-order…

Optimization and Control · Mathematics 2020-06-03 Le Thi Khanh Hien , Nicolas Gillis , Panagiotis Patrinos

We design an energy-stable and asymptotic-preserving finite volume scheme for the compressible Euler system. Using the relative energy framework, we establish rigorous error estimates that yield convergence of the numerical solutions in two…

Numerical Analysis · Mathematics 2026-03-31 Megala Anandan , K. R. Arun , Amogh Krishnamurthy , Mária Lukáčová-Medvid'ová
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