Related papers: Minimal Modification to Nos\'e-Hoover Barostat Ena…

We employ an extension of ergodic theory to the random setting to investigate the existence of random periodic solutions of random dynamical systems. Given that a random dynamical system has a dissipative structure, we proved that a random…

Given two distinct subsets $A,B$ in the state space of some dynamical system, Transition Path Theory (TPT) was successfully used to describe the statistical behavior of transitions from $A$ to $B$ in the ergodic limit of the stationary…

This paper demonstrates sufficient conditions for the existence of KAM tori in a singly thermostated, integrable hamiltonian system with $n$ degrees of freedom with a focus on the generalized, variable-mass thermostats of order 2--which…

Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…

While thermostated time evolutions stand on firm grounds and are widely used in classical molecular dynamics (MD) simulations, similar methods for quantum MD schemes are still lacking. In the special case of a quantum particle in a harmonic…

Almost all Molecular Dynamics (MD) simulations are discrete dynamics with Newton's algorithm first published in 1687, and much later by L. Verlet in 1967. Discrete Newtonian dynamics has the same qualities as Newton's classical analytic…

In this paper, we prove global existence of weak solutions for the stationary compressible Navier-Stokes equations with an anisotropic and nonlocal viscous term in a periodic domain. This gives an answer to an open problem important for…

We develop a theory of ergodicity for a class of random dynamical systems where the driving noise is not white. The two main tools of our analysis are the strong Feller property and topological irreducibility, introduced in this work for a…

We present a computational study of a visualization method for invariant sets based on ergodic partition theory, first proposed in [1,2]. The algorithms for computation of the time averages of observables on phase space are developed and…

In this research, we introduce and investigate an approximation method that preserves the structural integrity of the non-isothermal Cahn-Hilliard-Navier-Stokes system. Our approach extends a previously proposed technique [1], which…

We examine the formulation and numerical treatment of dissipative particle dynamics (DPD) and momentum-conserving molecular dynamics. We show that it is possible to improve both the accuracy and the stability of DPD by employing a pairwise…

Adiabatic Quantum Computing relies on the quantum adiabatic theorem, which states that a quantum system evolves along its ground state with time if the governing Hamiltonian varies infinitely slowly. However, practical limitations force…

We extend the theory of ergodic optimization and maximizing measures to the non-commutative field of C*-dynamical systems. We then employ this ergodic optimization machinery to provide an alternate characterization of unique erogdicity of…

We present a general molecular-dynamics simulation scheme, based on the Nose' thermostat, for sampling according to arbitrary phase space distributions. We formulate numerical methods based on both Nose'-Hoover and Nose'-Poincare'…

Noether's Theorem on constants of the motion of dynamical systems has recently been extended to classical dissipative systems (Markovian semi-groups) by Baez and Fong. We show how to extend these results to the fully quantum setting of…

We provide a detailed description of the path-integral Monte Carlo worm algorithm used to exactly calculate the thermodynamics of Bose systems in the canonical ensemble. The algorithm is fully consistent with periodic boundary conditions,…

We present a new method of conducting molecular dynamics simulation in isothermal-isobaric ensemble based on Langevin equations of motion. The stochastic coupling to all particle and cell degrees of freedoms is introduced in a correct way,…

In this paper we showed an equivalence of notions of regularity, transitivity and Ergodic principle for quadratic stochastic Volterra operators acting on the finite dimensional simplex.

We present a new proof of an Ergodic theorem for Wide-Sense Stationary Random Processes added with a new canonical sampling theorem of mine for finite time duration signals in the frequency domain (periodograms) which is free from the…

We give sufficient conditions ensuring the strong ergodic property of unique mixing for $C^*$-dynamical systems arising from Yang-Baxter-Hecke quantisation. We discuss whether they can be applied to some important cases including monotone,…