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We consider the steepest entropy ascent (SEA) ansatz to describe the non-linear thermodynamic evolution of a quantum system. Recently this principle has been dubbed the fourth law of thermodynamics (Beretta Gian Paolo. 2020 The fourth law…
By suitable reformulations, we cast the mathematical frameworks of several well-known different approaches to the description of non-equilibrium dynamics into a unified formulation, which extends to such frameworks the concept of Steepest…
By suitable reformulations, we review the mathematical frameworks of six different approaches to the description of non-equilibrium dynamics with the purpose to set up a unified formulation of the Maximum Entropy Production (MEP) principle…
Steepest-entropy-ascent quantum thermodynamics, or SEAQT, is a unified approach of quantum mechanics and thermodynamics that avoids many of the inconsistencies that can arise between the two theories. Given a set of energy levels, i.e.,…
Steepest-Entropy-Ascent Quantum Thermodynamics (SEAQT) provides a general framework for the description of non-equilibrium phenomena at any level, particularly the atomistic one. This theory and its dynamical postulate are used here to…
This paper presents a nonequilibrium thermodynamic model for the relaxation of a local, isolated system in nonequilibrium using the principle of steepest entropy ascent (SEA), which can be expressed as a variational principle in…
The Lindbladian formalism models open quantum systems using a 'bottom-up' approach, deriving linear dynamics from system-environment interactions. We present a 'top-down' approach starting with phenomenological constraints, focusing on…
The steepest-entropy-ascent quantum thermodynamic (SEAQT) framework was used to calculate the stability of a collection of point defects in 2D PtSe$_2$ and predict the kinetics with which defects rearrange during thermal annealing. The…
Steepest-entropy-ascent quantum thermodynamics (SEAQT) is an intriguing approach that describes equilibrium and dynamic processes in a self-consistent way. The applicability is limited to mainly gas phases because of a complex…
This paper presents a nonequilibrium, first-principles, thermodynamic-ensemble based model for the relaxation process of interacting non-equilibrium systems. This model is formulated using steepest-entropy-ascent quantum thermodynamics…
This work outlines the foundations for being able to do a first-principle study of the adsorption process using the steepest-entropy-ascent quantum thermodynamic (SEAQT) framework, a framework able to predict the unique non-equilibrium path…
A formal development of the hypoequilibrium (HE) state concept within the Steepest-Entropy-Ascent Quantum Thermodynamics (SEAQT) framework is presented, emphasizing its rigorous mathematical formulation. Using a general decomposition of the…
This work presents an analysis of the evolution of perturbed Bell diagonal states using the equation of motion of steepest-entropy-ascent quantum thermodynamics (SEAQT), the Lindblad equation, and various measures of loss of entanglement.…
By reformulating the Steepest-Entropy-Ascent (SEA) dynamical model for non-equilibrium thermodynamics in the mathematical language of Differential Geometry, we compare it with the primitive formulation of the GENERIC model and discuss the…
With reference to two general probabilistic description frameworks, Information Theory and Classical Statistical Mechanics, we discuss the geometrical reasoning and mathematical formalism leading to the differential equation that defines in…
This work presents a general unifying theoretical framework for quantum non-equilibrium systems. It is based on a re-statement of the dynamical problem as one of inferring the distribution of collision events that move a system toward…
Entropic measures like Shannon entropy (SE), its quantum mechanical analogue von Neumann entropy, and Kullback-Leibler divergence (KL) are key components in many tools used in physics, information theory, machine learning (ML) and quantum…
Fast Incremental Expectation Maximization (FIEM) is a version of the EM framework for large datasets. In this paper, we first recast FIEM and other incremental EM type algorithms in the {\em Stochastic Approximation within EM} framework.…
When thermodynamics is understood as the science (or art) of constructing effective models of natural phenomena by choosing a minimal level of description capable of capturing the essential features of the physical reality of interest, the…
A Potts model and the Replica Exchange Wang-Landau algorithm are used to construct an energy landscape for a crystalline solid containing surfaces and grain boundaries. The energy landscape is applied to an equation of motion from the…