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We present a promising coarse-graining strategy for linking micro- and mesoscales of soft matter systems. The approach is based on effective pairwise interaction potentials obtained from detailed atomistic molecular dynamics (MD)…

Soft Condensed Matter · Physics 2007-05-23 A. P. Lyubartsev , M. Karttunen , I. Vattulainen , A. Laaksonen

A technique for the enhancement of point targets in clutter is described. The local 3-D spectrum at each pixel is estimated recursively. An optical flow-field for the textured background is then generated using the 3-D autocorrelation…

Computer Vision and Pattern Recognition · Computer Science 2015-08-25 Hugh L. Kennedy

In this paper, we consider an approach to the parallelizing of the algorithms realizing the modified probability changigng method with adaptation and partial rollback procedure for constrained pseudo-Boolean optimization problems. Existing…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-09-03 Lev Kazakovtsev

We propose a semiparametric model for autonomous nonlinear dynamical systems and devise an estimation procedure for model fitting. This model incorporates subject-specific effects and can be viewed as a nonlinear semiparametric mixed…

Applications · Statistics 2011-12-01 Debashis Paul , Jie Peng , Prabir Burman

In this paper, we introduce a novel parallel contact algorithm designed to run efficiently in High-Performance Computing based supercomputers. Particular emphasis is put on its computational implementation in a multiphysics finite element…

Computational Engineering, Finance, and Science · Computer Science 2022-08-02 G. Guillamet , M. Rivero , M. Zavala-Aké , M. Vázquez , G. Houzeaux , S. Oller

A nonparametric distributed sequential algorithm for quick detection of spectral holes in a Cognitive Radio set up is proposed. Two or more local nodes make decisions and inform the fusion centre (FC) over a reporting Multiple Access…

Information Theory · Computer Science 2015-05-01 Sahasranand K. R. , Vinod Sharma

In a variety of scientific and engineering domains, the need for high-fidelity and efficient solutions for high-frequency wave propagation holds great significance. Recent advances in wave modeling use sufficiently accurate fine solver…

Analysis of PDEs · Mathematics 2025-09-17 Luis Kaiser , Richard Tsai , Christian Klingenberg

We propose two algorithms for discrete-time parameter estimation, one for time-varying parameters under persistent excitation (PE) condition, another for constant parameters under no PE condition. For the first algorithm, we show that in…

Machine Learning · Computer Science 2022-03-15 Yingnan Cui , Joseph E. Gaudio , Anuradha M. Annaswamy

Fluid dynamical simulations are often performed using cheap macroscopic models like the Euler equations. For rarefied gases under near-equilibrium conditions, however, macroscopic models are not sufficiently accurate and a simulation using…

Numerical Analysis · Mathematics 2023-05-31 Julian Koellermeier , Hannes Vandecasteele

Propagation of transient mechanical waves in porous media is numerically investigated in 1D. The framework is the linear Biot's model with frequency-independant coefficients. The coexistence of a propagating fast wave and a diffusive slow…

Geophysics · Physics 2010-05-06 Guillaume Chiavassa , Bruno Lombard , Joël Piraux

We analyse the convergence and stability of a micro-macro acceleration algorithm for Monte Carlo simulations of stiff stochastic differential equations with a time-scale separation between the fast evolution of the individual stochastic…

Numerical Analysis · Mathematics 2024-12-20 Przemysław Zieliński , Hannes Vandecasteele , Giovanni Samaey

We present a sub-matrix update algorithm for the continuous-time auxiliary field method that allows the simulation of large lattice and impurity problems. The algorithm takes optimal advantage of modern CPU architectures by consistently…

Strongly Correlated Electrons · Physics 2011-05-09 Emanuel Gull , Peter Staar , Sebastian Fuchs , Phani Nukala , Michael S. Summers , Thomas Pruschke , Thomas Schulthess , Thomas Maier

We consider the parallel time integration of the linear advection equation with the Parareal and two-level multigrid-reduction-in-time (MGRIT) algorithms. Our aim is to develop a better understanding of the convergence behaviour of these…

Numerical Analysis · Mathematics 2019-10-15 Oliver A. Krzysik , Hans De Sterck , Scott P. MacLachlan , Stephanie Friedhoff

Distributed point charge models (DCM) and their minimal variants (MDCM) have been integrated with tools widely used for condensed-phase simulations, including a virial-based barostat and a slow-growth algorithm for thermodynamic…

Chemical Physics · Physics 2020-11-03 Mike Devereux , Marco Pezzella , Shampa Raghunathan , Markus Meuwly

The accurate, reliable and efficient numerical approximation of multi-physics processes in heterogeneous porous media with varying media coefficients that include fluid flow and structure interactions is of fundamental importance in energy,…

Numerical Analysis · Mathematics 2018-01-17 Uwe Köcher

The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…

Computational Physics · Physics 2017-05-11 Daniel Queteschiner , Thomas Lichtenegger , Simon Schneiderbauer , Stefan Pirker

We propose a new parallel Discontinuous Galerkin method for the approximation of hyperbolic systems of conservation laws. The method remains stable with large time steps, while keeping the complexity of an explicit scheme: it does not…

Numerical Analysis · Mathematics 2024-02-27 Pierre Gerhard , Philippe Helluy , Victor Michel-Dansac , Bruno Weber

This paper presents a non-intrusive framework for integrating existing unsteady partial differential equation (PDE) solvers into a parallel-in-time simultaneous optimization algorithm. The time-parallelization is provided by the…

Optimization and Control · Mathematics 2018-03-01 Stefanie Günther , Nicolas R. Gauger , Jacob B. Schroder

Hydroclimatic processes are characterized by heterogeneous spatiotemporal correlation structures and marginal distributions that can be continuous, mixed-type, discrete or even binary. Simulating exactly such processes can greatly improve…

Methodology · Statistics 2017-07-24 Simon Michael Papalexiou

In-silico investigation of skin permeation is an important but also computationally demanding problem. To resolve all scales involved in full detail will not only require exascale computing capacities but also suitable parallel algorithms.…

Computational Engineering, Finance, and Science · Computer Science 2015-10-19 Andreas Kreienbuehl , Arne Naegel , Daniel Ruprecht , Robert Speck , Gabriel Wittum , Rolf Krause