Study of Liapunov Exponents and the Reversibility of Molecular Dynamics Algorithms

Instabilities and Non-Reversibility of Molecular Dynamics Trajectories

The theoretical justification of the Hybrid Monte Carlo algorithm depends upon the molecular dynamics trajectories within it being exactly reversible. If computations were carried out with exact arithmetic then it would be easy to ensure such reversibility, but the use of approximate floating point arithmetic inevitably introduces violations of reversibility. In the absence of evidence to the c...

Dynamics of a discrete-time plant-herbivore model

Energy study at different solvents for potassium Channel Protein by Monte Carlo, Molecular and Langevin Dynamics Simulations

Potassium Channels allow potassium flux and are essential for the generation of electric current acrossexcitable membranes. Potassium Channels are also the targets of various intracellular controlmechanisms; such that the suboptimal regulation of channel function might be related to pathologicalconditions. Realistic studies of ion current in biologic channels present a major challenge for compu...

Liapunov Spectra for Infinite Chains of Nonlinear Oscillators

We argue that the spectrum of Liapunov exponents for long chains of nonlinear oscillators, at large energy per mode, may be well approximated by the Liapunov exponents of products of independent random matrices. If, in addition, statistical mechanics applies to the system, the elements of these random matrices have a distribution which may be calculated from the potential and the energy alone. ...

Asymptotic Liapunov Exponents Spectrum For An Extended Chaotic Coupled Map Lattice

The scaling hypothesis for the coupled chaotic map lattices (CML) is formulated. Scaling properties of the CML in the regime of extensive chaos observed numerically before is justified analytically. The asymptotic Liapunov exponents spectrum for coupled piece-wise linear chaotic maps is found.