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Macroscopic quantum superpositions are widely believed to be unobservable because large systems cannot be perfectly isolated from their environments. Here, we show that even under perfect isolation, intrinsic unitary dynamics with the…
Simulation schemes that allow to change molecular representation in a subvolume of the simulation box while preserving the equilibrium with the surrounding introduce conceptual problems of thermodynamic consistency. In this work we present…
Designing the phase behavior of multicomponent mixtures is a rich area with many potential applications. One key question is how more than $M+1$ phases, as would normally be allowed by Gibbs' phase rule at generic temperature in a mixture…
Algorithms for simulating complex physical systems or solving difficult optimization problems often resort to an annealing process. Rather than simulating the system at the temperature of interest, an annealing algorithm starts at a…
Active systems evade the rules of equilibrium thermodynamics by constantly dissipating energy at the level of their microscopic components. This energy flux stems from the conversion of a fuel, present in the environment, into sustained…
A system in equilibrium does not evolve -- time independence is its telltale characteristic. However, in Newtonian physics the microstate of an individual system (a point in its phase space) evolves incessantly in accord with its equations…
The equivalence of thermodynamic ensembles is at the heart of statistical mechanics and central to our understanding of equilibrium states of matter. Recently, it has been shown that there is a formal connection between the dynamics of open…
While the canonical ensemble has been tremendously successful in capturing thermal statistics of macroscopic systems, deviations from canonical behavior exhibited by small systems are not well understood. Here, using a small two dimensional…
Particle number fluctuations are studied in the microcanonical ensemble. For the Boltzmann statistics we deduce exact analytical formulae for the microcanonical partition functions in the case of non-interacting massless neutral particles…
The spectra and correlation of identical particles emitted from small local-equilibrium sources are considered. The size of the system is defined by the negative part of the parabolic falling chemical potential. The analytical solution of…
Recently, multilevel collectively coupled quantum machines like heat engines and refrigerators have been shown to admit performance enhancements in analogy to superradiance. Thus far, investigations of the performance of collective quantum…
It is common to study polymer physics through the use of idealized single-chain models, and the most popular of these is the freely jointed chain model. In certain thermodynamic ensembles, statistical mechanical treatment of this model is…
The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with…
Systems with long range interactions in general are not additive, which can lead to an inequivalence of the microcanonical and canonical ensembles. The microcanonical ensemble may show richer behavior than the canonical one, including…
In this chapter we address the topic of quantum thermodynamics in the presence of additional observables beyond the energy of the system. In particular we discuss the special role that the generalized Gibbs ensemble plays in this theory,…
In equilibrium systems, time and ensemble averages of physical quantities are equivalent due to ergodic exploration of phase space. In driven systems, it is unknown if a similar equivalence of time and ensemble averages exists. We explore…
We use a bath of chaotic surface waves in water to mechanically and macroscopically mimic the thermal behavior of a short articulated chain with only nearest-neighbor interactions. The chaotic waves provide isotropic and random agitation to…
Competing phases or interactions in complex many-particle systems can result in free energy barriers that strongly suppress thermal equilibration. Here we discuss how extended ensemble Monte Carlo simulations can be used to study the…
For systems that self assemble into finite-sized objects, it is sometimes convenient to compute the thermodynamics for a small system where a single assembly can form. However, we show that in the canonical ensemble the use of small systems…
Ordered chains (such as chains of amino acids) are ubiquitous in biological cells, and these chains perform specific functions contingent on the sequence of their components. Using the existence and general properties of such sequences as a…