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8 papers · 1 filter
Feller property and infinitesimal generator of the exploration process
Romain Abraham, Jean-Francois Delmas
We consider the exploration process associated to the continuous random tree (CRT) built using a Levy process with no negative jumps. This process has been studied by Duquesne, Le…
Equilibrium Sampling From Nonequilibrium Dynamics
Mathias Rousset, Gabriel Stoltz
We present some applications of an Interacting Particle System (IPS) methodology to the field of Molecular Dynamics. This IPS method allows several simulations of a switched random…
Multilevel domain decomposition for electronic structure calculations
M. Barrault, E. Cances, W. W. Hager +1
We introduce a new multilevel domain decomposition method (MDD) for electronic structure calculations within semi-empirical and Density Functional Theory (DFT) frameworks. This met…
Non-ergodicity of the Nose-Hoover Thermostatted Harmonic Oscillator
Frédéric Legoll, Mitchell Luskin, Richard Moeckel
The Nose-Hoover thermostat is a deterministic dynamical system designed for computing phase space integrals for the canonical Gibbs distribution. Newton's equations are modified by…
Local determination of the constitutive law of a dense suspension of non-colloidal particles through MRI
Guillaume Ovarlez, François Bertrand, Stéphane Rodts
We investigate the flowing behavior of dense suspensions of non-colloidal particles, by coupling macroscopic rheometric experiments and local velocity and concentration measurement…
Optimal molecular alignment and orientation through rotational ladder climbing
Julien Salomon, Claude M. Dion, Gabriel Turinici
We study the control by electromagnetic fields of molecular alignment and orientation, in a linear, rigid rotor model. With the help of a monotonically convergent algorithm, we fin…