Computer simulation of the atomic behaviour in condensed phases.
Computer simulation of the atomic behaviour in condensed phases.
Molecular dynamics simulation method for the study of condensed phases of matter is described in this paper. Computer programs for the simulation of atomic motion have been developed. Time-saving techniques, like the cellular method have been incorporated in order to optimize the available computer resources. We have applied this method to the simulation of Argon near its melting point. Differences in the structure, thermodynamic properties and time correlation functions of solid and liquid phases...
Computer simulations of DNA packing inside bacteriophages: Elasticity, electrostatics and entropy.
Computer-assisted proofs for fixed point problems in Sobolev spaces.
Confinement of the two dimensional discrete Gaussian free field between two hard walls.
Connectivity bounds for the vacant set of random interlacements
The model of random interlacements on ℤd, d≥3, was recently introduced in [Vacant set of random interlacements and percolation. Available at http://www.math.ethz.ch/u/sznitman/preprints]. A non-negative parameter u parametrizes the density of random interlacements on ℤd. In the present note we investigate connectivity properties of the vacant set left by random interlacements at level u, in the non-percolative regime u>u∗, with u∗ the non-degenerate critical parameter for the percolation...
Conservative forms of Boltzmann's collision operator : Landau revisited
Conservative forms of Boltzmann's collision operator: Landau revisited
We show that Boltzmann's collision operator can be written explicitly in divergence and double divergence forms. These conservative formulations may be of interest for both theoretical and numerical purposes. We give an application to the asymptotics of grazing collisions.
Construction of the Bethe state for the elliptic quantum group.
Continuous and discrete (classical) Heisenberg spin chain revised.
Continuum limits of particles interacting via diffusion.
Continuum model of the two-component Becker-Döring equations.
Controllability of three-dimensional Navier–Stokes equations and applications
We formulate two results on controllability properties of the 3D Navier–Stokes (NS) system. They concern the approximate controllability and exact controllability in finite-dimensional projections of the problem in question. As a consequence, we obtain the existence of a strong solution of the Cauchy problem for the 3D NS system with an arbitrary initial function and a large class of right-hand sides. We also discuss some qualitative properties of admissible weak solutions for randomly forced NS...
Controlling Griffiths' singularities
Convergence of a continuous BGK model for initial boundary-value problems for conservation laws.
Convergence of an entropic semi-discretization for nonlinear Fokker-Planck equations in Rd
Convergence of coalescing nonsimple random walks to the Brownian web.
Convergence of critical oriented percolation to super-brownian motion above dimensions
Convergence of gradient-based algorithms for the Hartree-Fock equations
The numerical solution of the Hartree-Fock equations is a central problem in quantum chemistry for which numerous algorithms exist. Attempts to justify these algorithms mathematically have been made, notably in [E. Cancès and C. Le Bris, Math. Mod. Numer. Anal. 34 (2000) 749–774], but, to our knowledge, no complete convergence proof has been published, except for the large-Z result of [M. Griesemer and F. Hantsch, Arch. Rational Mech. Anal. (2011) 170]. In this paper, we prove the convergence of...
Convergence of gradient-based algorithms for the Hartree-Fock equations
The numerical solution of the Hartree-Fock equations is a central problem in quantum chemistry for which numerous algorithms exist. Attempts to justify these algorithms mathematically have been made, notably in [E. Cancès and C. Le Bris, Math. Mod. Numer. Anal. 34 (2000) 749–774], but, to our knowledge, no complete convergence proof has been published, except for the large-Z result of [M. Griesemer and F. Hantsch, Arch. Rational Mech. Anal. (2011) 170]. In this paper, we prove the convergence of...