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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...

Theory of Dilute Binary Granular Gas Mixtures

D. Serero, S. H. Noskowicz, I. Goldhirsch (2010)

Mathematical Modelling of Natural Phenomena

A computer-aided method for accurately carrying out the Chapman-Enskog expansion of the Boltzmann equation, including its inelastic variant, is presented and employed to derive a hydrodynamic description of a dilute binary mixture of smooth inelastic spheres. Constitutive relations, formally valid for all physical values of the coefficients of restitution, are calculated by carrying out the pertinent Chapman-Enskog expansion to sufficient high orders in the Sonine polynomials to ensure numerical...

Time asymptotic description of an abstract Cauchy problem solution and application to transport equation

Boulbeba Abdelmoumen, Omar Jedidi, Aref Jeribi (2014)

Applications of Mathematics

In this paper, we study the time asymptotic behavior of the solution to an abstract Cauchy problem on Banach spaces without restriction on the initial data. The abstract results are then applied to the study of the time asymptotic behavior of solutions of an one-dimensional transport equation with boundary conditions in L 1 -space arising in growing cell populations and originally introduced by M. Rotenberg, J. Theoret. Biol. 103 (1983), 181–199.

Time delay in chemical exchange during an NMR pulse

Dan Gamliel (2014)

Mathematica Bohemica

Spin exchange with a time delay in NMR (nuclear magnetic resonance) was treated in a previous work. In the present work the idea is applied to a case where all magnetization components are relevant. The resulting DDE (delay differential equations) are formally solved by the Laplace transform. Then the stability of the system is studied using the real and imaginary parts of the determinant in the characteristic equation. Using typical parameter values for the DDE system, stability is shown for all...

Topics in statistical physics involving braids

J. McCabe, T. Wydro (1998)

Banach Center Publications

We review the appearance of the braid group in statistical physics. In particular, we explain its relevance to the anyon model of fractional statistics and conformal field theory.

Transfer matrices and transport for Schrödinger operators

François Germinet, Alexander Kiselev, Serguei Tcheremchantsev (2004)

Annales de l’institut Fourier

We provide a general lower bound on the dynamics of one dimensional Schrödinger operators in terms of transfer matrices. In particular it yields a non trivial lower bound on the transport exponents as soon as the norm of transfer matrices does not grow faster than polynomially on a set of energies of full Lebesgue measure, and regardless of the nature of the spectrum. Applications to Hamiltonians with a) sparse, b) quasi-periodic, c) random decaying potential are provided....

Currently displaying 81 – 100 of 113