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A model for the thermodynamics of a quantum heat bath is introduced. Under the assumption that the bath molecules have finitely many degrees of freedom and are weakly interacting, we present a general derivation of the equation of state of…

A combination of classical density-functional theory and thermodynamic perturbation theory is applied to a survey of finite-temperature trends in the relative stabilities of one-component crystals and quasicrystals interacting via effective…

The behavior of fluids in the vicinity of the liquid-gas critical point is studied within the cell fluid model framework. The analytic method for deriving the equation of state of a cell fluid model in the low-temperature region (T<Tc) is…

Thermodynamics and transport are investigated in a holographic QCD model that extends the Einstein--Maxwell--Dilaton framework by incorporating Gauss--Bonnet corrections. Model parameters are fixed using state-of-the-art lattice QCD…

Heat transfer in liquids is a very challenging problem as it combines the competing effect of high frequency oscillations, which dominate liquid heat capacity, and diffusive motion, which enables transport macroscopic flow. This issue is…

Background: Quantum Chromodynamics is expected to have a phase transition in the same static universality class as the 3D Ising model and the liquid-gas phase transition. The properties of the equation of state, the transport coefficients,…

Designing new, technologically relevant superconductors has long been at the forefront of solid-state physics and chemistry research. However, developing efficient approaches for modeling the thermodynamics of superconducting alloys while…

Dynamical quantum-cluster approaches, such as different cluster extensions of the dynamical mean-field theory (cluster DMFT) or the variational cluster approximation (VCA), combined with efficient cluster solvers, such as the quantum…

The thermodynamic geometry formalism is applied to strongly interacting matter to estimate the deconfinement temperature. The curved thermodynamic metric for Quantum Chromodynamics (QCD) is evaluated on the basis of lattice data, whereas…

Multiparticle collision dynamics (MPC), a particle-based mesoscale simulation technique for com- plex fluid, is widely employed in non-equilibrium simulations of soft matter systems. To maintain a defined thermodynamic state, thermalization…

Parametrizing energy functions for ionic systems can be challenging. Here, the total energy function for an eutectic system consisting of water, SCN$^-$, K$^+$ and acetamide is improved vis-a-vis experimentally measured properties. Given…

We present a novel algorithm that allows one to obtain temperature dependent properties of quantum lattice models in the thermodynamic limit from exact diagonalization of small clusters. Our Numerical Linked Cluster (NLC) approach provides…

Thermodynamics is fundamental for understanding and synthesizing multi-component materials, while efficient and accurate prediction of it still remain urgent and challenging. As a demonstration of the "Divide and conquer" strategy…

Prediction models of lattice thermal conductivity have wide applications in the discovery of thermoelectrics, thermal barrier coatings, and thermal management of semiconductors. kL is notoriously difficult to predict. While classic models…

We present in this work a generalization of the solution of Gorenstein and Yang for a consistent thermodynamics for systems with a temperature dependent Hamiltonian. We show that there is a large class of solutions, work out three…

A computational approach by an implementation of the Principle Component Analysis (PCA) with K-means and Gaussian Mixture (GM) clustering methods from Machine Learning (ML) algorithms to identify structural and dynamical heterogeneities of…

The successful quasi-particle model is compared with recent lattice data of the coefficients in the Taylor series expansion of the excess pressure at finite temperature and baryon density. A chain of approximations, starting from QCD to…

We propose a quasi-particle model to describe the lattice QCD equation of state for pure SU(3) gauge theory in its deconfined state, for $T \ge 1.5T_c$. The method involves mapping the interaction part of the equation of state to an…

Kinetically constrained models (KCM) generically have trivial thermodynamics and yet manifest rich glassy dynamics. In order to resolve the thermodynamics-dynamics disconnect in KCMs, we derive a KCM by coarse-graining a non-trivial…

Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…