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The thermodynamic properties of nuclei are studied in a mean field model using a Skryme interaction. Properties of two component systems are investigated over the complete range of proton fraction from a system of pure neutrons to a system…
We suggest a new approach for describing quantum dissipation in a small systems for which the system-plus-reservoir approach is not relevant. We first analyze the fact that equilibrium thermodynamics may reveal the existence of an…
We discuss how the thermalization of an elementary quantum system is modified when the system is placed in an environment out of thermal equilibrium. To this aim we provide a detailed investigation of the dynamics of an atomic system placed…
Chemical reactions involve the movement of charges, and this work presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical…
Within the framework of relativistic quantum field theory, a novel method is established which allows to distinguish non-equilibrium states admitting locally a thermodynamic interpretation. The basic idea is to compare these states with…
We constructed a model that evolved from a non-equilibrium state to an equilibrium state. The model only needs two basic coefficients, including self-similar coefficients and non-equilibrium coefficients. The coefficients of the model can…
We establish a new non-equilibrium scaling regime in the short time evolution of one-dimensional interacting open quantum systems subject to a generic heating mechanism. This dynamical regime is characterized by uncompensated phonon…
In this work we present and discuss theoretical models of redox molecular junctions that account for recent observations of nonlinear charge transport phenomena, such as hysteresis and hysteretic negative differential resistance (NDR). A…
Molecular dynamics (MD) simulations are used in biochemistry, physics, and other fields to study the motions, thermodynamic properties, and the interactions between molecules. Computational limitations and the complexity of these problems,…
We prove that for a combined system of classical and quantum particles, it is possible to write a dynamics for the classical particles that incorporates in a natural way the Boltzmann equilibrium population for the quantum subsystem. In…
When a thermodynamic system is released from any constraint, after some time its evolution will render it into an equilibrium state. Although the description of this relaxation to thermodynamic equilibrium has been attempted through both…
The mathematical physics of mechanical systems in thermal equilibrium is a well studied, and relatively easy, subject, because the Gibbs distribution is in general an adequate guess for the equilibrium state. On the other hand, the…
Energy-conserving Hermite methods for solving Maxwell's equations in dielectric and dispersive media are described and analyzed. In three space dimensions methods of order $2m$ to $2m+2$ require $(m+1)^3$ degrees-of-freedom per node for…
The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…
The recent development of the calculation of specific heat ($C$) of liquids and glasses by first-principles molecular dynamics (MD) simulations is reviewed. Liquid and glass states have common properties in that there is no periodicity and…
Random heteropolymers do not display the typical equilibrium properties of globular proteins, but are the starting point to understand the physics of proteins and, in particular, to describe their non-native states. So far, they have been…
Simple proofs of uniqueness of the thermodynamic limit of KMS states and of the decay of equilibrium correlations are presented for a large class of quantum lattice systems at high temperatures. New quantum correlation inequalities for…
Quantifying multipartite entanglement in quantum many-body systems and hybrid quantum computing architectures is a fundamental yet challenging task. In recent years, thermodynamic quantities such as the maximum extractable work from an…
Nonequilibrium dynamics of quantum many-body systems is challenging for classical computing, providing opportunities for demonstrating practical quantum computational advantage with analogue quantum simulators. Owing to the intimate…
We combine the formalisms of diagonal entropy and Jarzynski Equality to study the thermodynamic properties of closed quantum systems. Applying this approach to a quantum harmonic oscillator, the diagonal entropy offers a notion of…