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Tools of quantum information theory offer a new perspective to characterize phases and phase transitions in interacting many-body quantum systems. The Hubbard model is the archetypal model of such systems and can explain rich phenomena of…
We show that the various crossovers between dynamical regimes observed in experiments and simulations of supercooled liquids can be explained in simple terms from the existence and statistical properties of dynamical heterogeneities. We…
We propose a detailed investigation of the schematic mode-coupling approach to experimental data, a method based on the use of simple mode-coupling equations to analyze the dynamics of supercooled liquids. Our aim here is to clarify…
Thermodynamic conventions suffer from describing dynamical distinctions, especially when the structural and energetic changes induced by localized rare events are insignificant. By using the ensemble theory in the trajectory space, we…
Entanglement and information are powerful lenses to probe phases transitions in many-body systems. Motivated by recent cold atom experiments, which are now able to measure the corresponding information-theoretic quantities, we study the…
We report recent progress on the test of mode coupling theory for molecular liquids (MMCT) for molecules of arbitrary shape. The MMCT equations in the long time limit are solved for supercooled water including all molecular degrees of…
We develop an approach to liquid thermodynamics based on collective modes. We perform extensive molecular dynamics simulations of noble, molecular and metallic liquids and provide the direct evidence that liquid energy and specific heat are…
Structural system identification in the presence of thermal loads is challenging, as unmeasured or poorly modeled thermal effects can mask or mimic damage, leading to unreliable conclusions. This work presents an optimization-driven,…
An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this ``inherent…
By numerically exact calculations of spin-1/2 antiferromagnetic Heisenberg models on small clusters, we demonstrate that quantum entanglement between subsystems $A$ and $B$ in a pure ground state of a whole system $A+B$ can induce thermal…
The mechanical behaviors of polycrystalline solids are determined by the interplay between phenomena governed by two different thermodynamic temperatures: the configurational effective temperature that controls the density of dislocations,…
We give evidence of a clear structural signature of the glass transition, in terms of a static correlation length with the same dependence on the system size which is typical of critical phenomena. Our approach is to introduce an external,…
Mode-coupling theory (MCT) of sheared dense granular liquids %in the vicinity of jamming transition is formulated. Starting from the Liouville equation of granular particles, the generalized Langevin equation is derived with the aid of the…
Recently, there have been many works on the deep learning of statistical ensembles to determine the critical temperature of a possible phase transition. We analyze the detailed structure of an optimized deep learning machine and prove the…
The existing studies of the temperature effect of the spin-boson model show that the tunneling splitting will increase with temperature, no matter how weak the couplings are between the bath and the spin. However, the small polaron theory…
An ensemble of trajectories with dynamical activity and first-passage time (FPT) is considered in the context of the thermodynamics of trajectories. The relationship between the average FPT and the total change in entropy is determined,…
We derive the Mode Coupling Theory (MCT) of the glass transition as a Landau theory, formulated as an expansion of the exact dynamical equations in the difference between the correlation function and its plateau value. This sheds light on…
We introduce a new measure of the structure of a liquid which is the softness of the mean-field potential developed by us earlier. We find that this softness is sensitive to small changes in the structure. We then study its correlation with…
In quantum statistical mechanics, finite-temperature phase transitions are typically governed by classical field theories. In this context, the role of quantum correlations is unclear: recent contributions have shown how entanglement is…
We use molecular dynamics computer simulations to investigate the coupling/decoupling between translational and rotational dynamics in a glass-forming liquid of dumbbells. This is done via a careful analysis of the $\alpha$-relaxation time…