Related papers: Stochastic and deterministic molecular dynamics de…
Consider a microscopic system of $N$ hard spheres that are initially independent (modulo the exclusion condition on particle positions) and identically distributed in $\mathbb{R}^3$. When the number $N$ of particles goes to infinity and the…
The stochastic thermodynamics provides a framework for the description of systems that are out of thermodynamic equilibrium. It is based on the assumption that the elementary constituents are acted by random forces that generate a…
We study a class of systems of stochastic differential equations describing diffusive phenomena. The Smoluchowski-Kramers approximation is used to describe their dynamics in the small mass limit. Our systems have arbitrary state-dependent…
By examining the deterministic limit of a general $\epsilon$-dependent generator for Markovian dynamics, which includes the continuous Fokker-Planck equations and discrete chemical master equations as two special cases, the intrinsic…
We develop a rigorous treatment of discontinuous stochastic unitary evolution for a system of quantum particles that interacts singularly with quantum "bubbles" at random instants of time. This model of a "cloud chamber" allows to watch and…
In this paper we demonstrate that two commonly used phenomenological post-Markovian quantum master equations can be derived without using any perturbative approximation. A system coupled to an environment characterized by self-classical…
Based on recently derived exact stochastic Liouville-von Neumann equations, several strategies for the efficient simulation of open quantum systems are developed and tested on the spin-boson model. The accuracy and efficiency of these…
This note provides an introduction to molecular dynamics, the computational implementation of the theory of statistical physics. The discussion is focused on the properties of Langevin dynamics, a degenerate stochastic differential equation…
Effective Hamiltonians governing the time evolution in a subspace of unstable states can be found using more or less accurate approximations. A convenient tool for deriving them is the evolution equation for a subspace of state space…
Estimating the parameters governing the dynamics of a system is a prerequisite for its optimal control. We present a simple but powerful method that we call STEADY, for STochastic Estimation algorithm for DYnamical variables, to estimate…
We study both the classical and quantum rotational dynamics of an asymmetric top molecule, controlled through three orthogonal electric fields that interact with its dipole moment. The main difficulties in studying the controllability of…
With an apparent delay of over one century with respect to the development of standard Analytical Mechanics, but still in fully classical terms, the behavior of classical monochromatic wave beams in stationary media is shown to be ruled by…
We study non--adiabatic transitions in scattering theory for the time dependent molecular Schroedinger equation in the Born--Oppenheimer limit. We assume the electron Hamiltonian has finitely many levels and consider the propagation of…
The dynamics of models described by a one-dimensional discrete nonlinear Schr\"odinger equation is studied. The nonlinearity in these models appears due to the coupling of the electronic motion to optical oscillators which are treated in…
The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This…
Non-Markovian open quantum systems represent the most general dynamics when the quantum system is coupled with a bath environment. The quantum dynamics arising from many important applications are non-Markovian. Although for special cases,…
We derive the theory of open quantum system dynamics intervened by a series of nonselective measurements. We analyze the cases of time independent and time dependent Hamiltonian dynamics in between the measurements and find the approximate…
Any time-dependent solution of Schr\"{o}dinger equation may be always correlated to a solution of Hamilton equations or to a statistical combination of their solutions; only the set of corresponding solutions is somewhat smaller (due to…
Extended Lagrangian Born-Oppenheimer molecular dynamics [Phys. Rev. Lett., ${\bf 100}$, 123004 (2008)] is formulated for general Hohenberg-Kohn density functional theory and compared to the extended Lagrangian framework of first principles…
We establish a general theory of optimal strong error estimation for numerical approximations of a second-order parabolic stochastic partial differential equation with monotone drift driven by a multiplicative infinite-dimensional Wiener…