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Symmetric parareal algorithms for hamiltonian systems

Xiaoying Dai, Claude Le Bris, Frédéric Legoll, Yvon Maday (2013)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

The parareal in time algorithm allows for efficient parallel numerical simulations of time-dependent problems. It is based on a decomposition of the time interval into subintervals, and on a predictor-corrector strategy, where the propagations over each subinterval for the corrector stage are concurrently performed on the different processors that are available. In this article, we are concerned with the long time integration of Hamiltonian systems. Geometric, structure-preserving integrators are...

The conjugacy between Cascades generated by a weakly nonlinear system and the Euler method of a flow

Dariusz Jabłoński (2002)

Applicationes Mathematicae

Sufficient conditions for the existence of a topological conjugacy between a cascade obtained from a weakly nonlinear flow by fixing the time step and a cascade obtained by the Euler method are analysed. The aim of this paper is to provide relations between constants in the Fečkan theorem. Given such relations an implementation of a weakly nonlinear neuron is possible.

Theoretical and numerical comparison of some sampling methods for molecular dynamics

Eric Cancès, Frédéric Legoll, Gabriel Stoltz (2007)

ESAIM: Mathematical Modelling and Numerical Analysis

The purpose of the present article is to compare different phase-space sampling methods, such as purely stochastic methods (Rejection method, Metropolized independence sampler, Importance Sampling), stochastically perturbed Molecular Dynamics methods (Hybrid Monte Carlo, Langevin Dynamics, Biased Random Walk), and purely deterministic methods (Nosé-Hoover chains, Nosé-Poincaré and Recursive Multiple Thermostats (RMT) methods). After recalling some theoretical convergence properties for the...

Time series models for Earth's crust kinematics

Magda Komorníková, Jozef Komorník (2002)

Kybernetika

Deterministic and stochastic approach to modeling common trends has been applied to time series of horizontal coordinates of the permanent GPS station Modra – Piesky (recorded weekly during the period of 4 years).

Vibrational properties of nanographene

Sandeep Kumar Singh, F.M. Peeters (2013)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

The eigenmodes and the vibrational density of states of the ground state configuration of graphene clusters are calculated using atomistic simulations. The modified Brenner potential is used to describe the carbon-carbon interaction and carbon-hydrogen interaction in case of H-passivated edges. For a given configuration of the C-atoms the eigenvectors and eigenfrequencies of the normal modes are obtained after diagonalisation of the dynamical matrix whose elements are the second derivative of the...

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