Related papers: Temperature Integration: an efficient procedure fo…
It is argued that a typical many body energy eigenstate has a well defined thermodynamic entropy and that individual eigenstates possess thermodynamic characteristics analogous to those of generic isolated systems. We examine large systems…
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…
Thermodynamic equilibrium can be sometimes reached at the interaction between metal and oxide melts in high temperature welding and metallurgical processes. Calculation of equilibrium phase composition is also one of the stages (along with…
Evaluating the linear response of a driven system to a change in environment temperature(s) is essential for understanding thermal properties of nonequilibrium systems. The system is kept in weak contact with possibly different fast…
Using a thermodynamic integration scheme, we compute the free energy cost per unit area, $\gamma$, of forming an interface between a crystal and a frozen structured wall, formed by particles frozen into the same equilibrium structure as the…
The environmental impact of Large Language Models (LLMs) on data centers hosting these models is becoming a significant concern. While many efforts have focused on reducing the substantial training overhead of LLMs, carbon and water…
We consider the thermal aspect of a system composed of two coupled harmonic oscillators and study the corresponding purity. We initially consider a situation where the system is brought to a canonical thermal equilibrium with a heat-bath at…
Aims. The main objective of this article is to provide a simple physical framework with permits a quantitative comparison of measurements of the temperature fluctuations in the ionized interstellar medium with possible mechanisms which can…
Structural system identification in the presence of thermal loads is challenging, as unmeasured or poorly modeled thermal effects can mask or mimic damage, leading to unreliable conclusions. This work presents an optimization-driven,…
We introduce an algorithm to systematically improve the efficiency of parallel tempering Monte Carlo simulations by optimizing the simulated temperature set. Our approach is closely related to a recently introduced adaptive algorithm that…
The time sequences of the molecular dynamics simulation for the folding process of a protein is analyzed with the inherent structure landscape which focuses on configurational dynamics of the system. Time dependent energy and entropy for…
For a gas confined between surfaces held at different temperatures the velocity distribution shows a significant deviation from the Maxwell distribution when the mean free path of the molecules is comparable to or larger than the channel…
Using normalizing flows and reweighting, Boltzmann Generators enable equilibrium sampling from a Boltzmann distribution, defined by an energy function and thermodynamic state. In this work, we introduce Thermodynamic Interpolation (TI),…
We introduce a method that ensures efficient computation of one-dimensional quantum systems with long-range interactions across all temperatures. Our algorithm operates within a quasi-polynomial runtime for inverse temperatures up to…
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are typically required. Circumventing the need for performing many…
Precise temperature measurements on systems of few ultracold atoms is of paramount importance in quantum technologies, but can be very resource-intensive. Here, we put forward an adaptive Bayesian framework that substantially boosts the…
In finite-size scaling analyses of Monte Carlo simulations of second-order phase transitions one often needs an extended temperature range around the critical point. By combining the parallel tempering algorithm with cluster updates and an…
Jarzynski's identity for the free energy difference between two equilibrium states can be viewed as a special case of a more general procedure based on phase space mappings. Solving a system's equation of motion by approximate means…
The equations of the temperature-accelerated molecular dynamics (TAMD) method for the calculations of free energies and partition functions are analyzed. Specifically, the exponential convergence of the law of these stochastic processes is…
The aim of the temperature control is to heat the system up todelimitated temperature, afterwardhold it at that temperature in insured manner. Fuzzy Logic Controller (FLC) is best way in which this type of precision control can be…