Related papers: Estimation of microscopic averages from metadynami…
Estimating the free energy, as well as other thermodynamic observables, is a key task in lattice field theories. Recently, it has been pointed out that deep generative models can be used in this context [1]. Crucially, these models allow…
Application of thermodynamics to driven systems is discussed. As particular examples, simple traffic flow models are considered. On a microscopic level, traffic flow is described by Bando's optimal velocity model in terms of accelerating…
Sequences of experimental ground-state energies are mapped onto concave patterns cured from convexities due to pairing and/or shell effects. The same patterns, completed by a list of excitation energies, can be used to give numerical…
We consider Langevin dynamics associated with a modified kinetic energy vanishing for small momenta. This allows us to freeze slow particles, and hence avoid the re-computation of inter-particle forces, which leads to computational gains.…
This work generalizes the classical metriplectic formalism to model Hamiltonian systems with nonconservative dissipation. Classical metriplectic representations allow for the description of energy conservation and production of entropy via…
Heat can flow from cold to hot at any phase separation. Therefore Lynden-Bell's gravo-thermal catastrophe must be reconsidered. The original objects of Thermodynamics, the separation of phases at first order phase transitions, like boiling…
The analytical gradient for periodic systems is presented, for the case of metallic systems. The total energy and the free energy are computed on the Hartree-Fock or density functional level, with the wave function being expanded in terms…
Metadynamics, a member of the `flat histogram' class of advanced sampling algorithms, has been widely used in molecular simulations to drive the exploration of states separated by high free energy barriers and promote comprehensive sampling…
Thermodynamics (in concert with its sister discipline, statistical physics) can be regarded as a data reduction scheme based on partitioning a total system into a subsystem and a bath that weakly interact with each other. The ubiquity and…
The statistical mechanical description of small systems staying in thermal equilibrium with an environment can be achieved by means of the Hamiltonian of mean force. In contrast to the reduced density matrix of an open quantum system, or…
We reconsider some general aspects about the mean field thermodynamical description of the astrophysical systems based on the microcanonical ensemble. Starting from these basis, we devote a special attention to the analysis of the scaling…
Recent advances in nonequilibrium statistical physics have provided unprecedented insight into the thermodynamics of dynamic processes. The author recently used these advances to extend Landauer's semi-formal reasoning concerning the…
Thermal channels -- the free processes allowed in the resource theory of quantum thermodynamics -- are generalised to thermal instruments, which we interpret as implementing thermodynamically free quantum measurements; a Maxwellian demon…
In his Comment [1], Philip Strasberg (PS) argues from the analysis of different examples that the framework we have presented in [2] does not recover known results of macroscopic textbook thermodynamics. Here, we show that such apparent…
We present a differentiable formalism for learning free energies that is capable of capturing arbitrarily complex model dependencies on coarse-grained coordinates and finite-temperature response to variation of general system parameters.…
We apply the adiabatic approximation to slow but finite-time thermodynamic processes and obtain the full counting statistics of work. The average work consists of change in free energy and the dissipated work, and we identify each term as a…
In this paper, some equations are derived to describe the out-of-equilibrium thermodynamics of colloidal suspensions. These results are obtained assuming that the properties of the colloids essentially come from their surfaces which are…
We propose a numerical technique to compute the equilibrium free energy of glasses that cannot be prepared quasi-reversibly. For such systems, standard techniques for estimating the free energy by extrapolation, cannot be used. Instead, we…
The description of the early stage of microfracture growth in a quasibrittle solid with thermodynamic positions is considered. From the most general thermodynamic performances the "principle" of minimization of free energy is received. The…
We analyze, from the thermodynamical point of view, mechanical systems in which there is production of mechanical energy due to an internal source of energy, and compare that analysis with the similar one for the "symmetric" motion which…