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Accurate characterization of entropy plays a pivotal role in capturing reversible and irreversible heating in supercapacitors during charging/discharging cycles. However, numerical methods that can faithfully capture entropy variation in…
This paper presents a computationally efficient method for the optimal design of silica aerogel porous material systems, balancing thermal insulation performance with mechanical stability under stress concentrations. The proposed approach…
Computational screening in heterogeneous catalysis relies increasingly on machine learning models for predicting key input parameters due to the high cost of computing these directly using first-principles methods. This becomes especially…
The von Neumann entropy of various quantum dissipative models is calculated in order to discuss the entanglement properties of these systems. First, integrable quantum dissipative models are discussed, i.e., the quantum Brownian motion and…
Sensitivity to noise makes most of the current quantum computing schemes prone to error and nonscalable, allowing only for small proof-of-principle devices. Topologically-protected quantum computing aims at solving this problem by encoding…
Quantum thermodynamics with open systems is often based on the quantum optical weak-coupling master equation or on operational repeated interaction models, whereas early works on thermalisation and on decoherence theory were mostly…
We first present a comparative analysis of temperature evolution of the excess thermodynamic potentials (state functions), the enthalpy $\Delta H$, entropy $\Delta S$ and Gibbs free energy $\Delta \Phi$, determined for \textit{i})…
Noise within solid-state systems at low temperatures, where many of the degrees of freedom of the host material are frozen out, can typically be traced back to material defects that support low-energy excitations. These defects can take a…
To investigate the consequences of component confinement such as at a glass transition and the well-known energy or enthalpy gap (between the glass and the perfect crystal at absolute zero, see text), we follow our previous approach [Phys.…
Stochastic thermodynamics of chemical reaction systems has recently gained much attention. In the present paper, we consider such an issue for a system with both oscillatory and excitable dynamics, using catalytic oxidation of carbon…
Entanglement entropy is a fundamental concept with rising importance in different fields ranging from quantum information science, black holes to materials science. In complex materials and systems, entanglement entropy provides insight…
Elastic constants are central material properties, frequently reported in experimental and theoretical studies. While their computation is straightforward in the absence of thermal fluctuations, finite--temperature methods often suffer from…
Phasons are collective low-energy modes that appear in disparate condensed matter systems such as quasicrystals, incommensurate structures, fluctuating charge density waves, and Moir\'e superlattices. They share several similarities with…
Quantum informatic quantities such as entanglement entropy are useful in detecting quantum phase transitions. Recently, a new entanglement measure called pseudo-entropy was proposed which is a generalization of the more well-known…
Entanglement entropy is a statistical entropy measuring information loss due to coarse-graining corresponding to a spatial division of a system. In this paper we construct a thermodynamics (entanglement thermodynamics) which includes the…
This work focuses on the thermodynamics of pseudo-elastic models which represent the Mullins effect. Two established models are analyzed theoretically, their thermomechanical properties are derived, and certain critical points are…
Fragile materials ranging from sand to fire-retardant to toothpaste are able to exhibit both solid and fluid-like properties across the jamming transition. Unlike ordinary fusion, systems of grains, foams and colloids jam and cease to flow…
We construct a dipole-facilitated kinetic constraint to partition the Hilbert space into three disconnected subspaces, two of which are nonthermal and the other acts as an intrinsic thermal bath. The resulting glassy system freely…
Bistable autonomous systems can be found inmany areas of science. When the intrinsic noise intensity is large, these systems exhibits stochastic transitions from onemetastable steady state to another. In electronic bistable memories, these…
We present a quantum statistical analysis of a microscopic mean-field model of structural glasses at low temperatures. The model can be thought of as arising from a random Born von Karman expansion of the full interaction potential. The…