Related papers: A Dynamical Approach to Temperature
We present an efficient method to solve the impurity Hamiltonians involved in Dynamical Mean-Field Theory at low but finite temperature, based on the extension of the Lanczos algorithm from ground state properties alone to excited states.…
Thermodynamics relies on the possibility to describe systems composed of a large number of constituents in terms of few macroscopic variables. Its foundations are rooted into the paradigm of statistical mechanics, where thermal properties…
Thermostats are dynamical equations used to model thermodynamic variables such as temperature and pressure in molecular simulations. For computationally intensive problems such as the simulation of biomolecules, we propose to average over…
I consider the generic situation where a finite number of identical test systems in varying (possibly unknown) initial states are subjected independently to the same unknown process. I show how one can infer from the output data alone…
The thermodynamic formalism allows one to access the chaotic properties of equilibrium and out-of-equilibrium systems, by deriving those from a dynamical partition function. The definition that has been given for this partition function…
We numerically determine the entropy for heat-conducting states, which is connected to the so-called excess heat considered as a basic quantity for steady-state thermodynamics in nonequilibrium. We adopt an efficient method to estimate the…
We investigate the effective temperature of a harmonic chain whose two ends are coupled to two baths at different temperatures. We propose to take the weighted average temperature as the effective temperature of the system. The weight…
We formulate a canonical quantization of Equilibrium Thermodynamics by applying Dirac's theory of constrained systems. Thermodynamic variables are treated as conjugate pairs of coordinates and momenta, allowing extensive and intensive…
The 3D Ising-like system in the external field is described using the non-perturbative collective variables method. The universal as well as nonuniversal system characteristics are obtained within the framework of this approach. The…
We numerically study a Bose-Hubbard ring of finite size with disorder containing a finite number of bosons that are subject to an on-site two-body interaction. Our results show that moderate interactions induce dynamical thermalization in…
In this study, internal energy (U), electric field (E) and particle number (N) which specify the system quantities i.e. thermodynamical quantities for the proteins. In the frame of thermodynamical formalism, the relation between the heat…
We present a novel approach to investigate the long-time stochastic dynamics of multi-dimensional classical systems, in contact with a heat-bath. When the potential energy landscape is rugged, the kinetics displays a decoupling of short and…
A convenient model for estimating the total entropy ({\Sigma}Si) of atmospheric gases based on physical action is proposed. This realistic approach is fully consistent with statistical mechanics, but uses the properties of translational,…
Hamiltonian diagonalization is at the heart of understanding physical properties and practical applications of quantum systems. It is highly desired to design quantum algorithms that can speedup Hamiltonian diagonalization, especially those…
In the realm of statistical mechanics, it has been established that there is no distinction between the micro-canonical and canonical ensembles in the thermodynamic limit. However, this paradigm may alter when addressing statistical…
The earliest molecular dynamics simulations relied on solving the Newtonian or equivalently the Hamiltonian equations of motion for a system. While pedagogically very important as the total energy is preserved in these simulations, they…
We show that arbitrary phase space vector fields can be used to generate phase functions whose ensemble averages give the thermodynamic temperature. We describe conditions for the validity of these functions in periodic boundary systems and…
The last decade has witnessed the remarkable progress in our understanding of thermalization in isolated quantum systems. Combining the eigenstate thermalization hypothesis with quantum measurement theory, we extend the framework of quantum…
The Hamiltonian dynamics associated to classical, planar, Heisenberg XY models is investigated for two- and three-dimensional lattices. Besides the conventional signatures of phase transitions, here obtained through time averages of…
We provide a new derivation of the conditions of dynamical and thermodynamical stability of homogeneous and inhomogeneous isothermal distributions in the Hamiltonian Mean Field (HMF) model. This proof completes the original thermodynamical…