Related papers: Information entropy of liquid metals
The configurational entropy is one of the most important thermodynamic quantities characterizing supercooled liquids approaching the glass transition. Despite decades of experimental, theoretical, and computational investigation, a widely…
We introduce quantum correlations measures based on the minimal change in unified entropies induced by local rank-one projective measurements, divided by a factor that depends on the generalized purity of the system in the case of…
The quantification of aleatoric and epistemic uncertainty in terms of conditional entropy and mutual information, respectively, has recently become quite common in machine learning. While the properties of these measures, which are rooted…
We present an algorithm for computing melting points by autonomously learning from coexistence simulations in the NPT ensemble. Given the interatomic interaction model, the method makes decisions regarding the number of atoms and…
The relative entropy of a correlated state and an uncorrelated reference state is a reasonable measure for the degree of correlations. A key question is however which uncorrelated state to compare to. The relative entropy becomes minimal…
Many methods for computing electronic correlation effects at finite temperature are related to many-body perturbation theory in the grand-canonical ensemble. In most applications, however, the average number of electrons is known rather…
Controlling electrochemical reactivity requires a detailed understanding of the charging behavior and thermodynamics of the electrochemical interface. Experiments can independently probe the overall charge response of the electrochemical…
We establish a rigorous connection between fundamental resource theories at the quantum scale. Correlations and entanglement constitute indispensable resources for numerous quantum information tasks. However, their establishment comes at…
The whole Al-Li phase diagram is predicted from first principles calculations and statistical mechanics including the effect of configurational and vibrational entropy. The formation enthalpy of different configurations at different…
Many quantum information measures can be written as an optimization of the quantum relative entropy between sets of states. For example, the relative entropy of entanglement of a state is the minimum relative entropy to the set of separable…
We investigate numerically the low temperature equilibration of glassy systems via non-local Monte Carlo methods. We re-examine several systems that have been studied previously and investigate new systems in order to test the performance…
We analyze the nature of the structural order established in liquid TIP4P water in the framework provided by the multi-particle correlation expansion of the statistical entropy. Different regimes are mapped onto the phase diagram of the…
Adopting the framework of two-coupled superconducting charges model, we discussed the information entropy of two qubits initially prepared in a mixed state and allowed to interact with their environment. The impact of the different…
This paper introduces the basic concepts of information theory. Based on these concepts, we regard the states in the state space and the types of ideal gases as the symbols in a symbol set to calculate the mixing entropy of ideal gas…
The present work studies aspects of the electronic correlation in confined H$^{-}$, He and Li$^+$ atoms in their ground states using the informational entropies. In this way, different variational wavefunctions are employed in order of…
Information theoretic measures (entropies, entropy rates, mutual information) are nowadays commonly used in statistical signal processing for real-world data analysis. The present work proposes the use of Auto Mutual Information (Mutual…
Isolated quantum systems follow the unitary evolution, which guarantees the full many body state always keeps a constant entropy as its initial one. In comparison, the local subsystems exhibit relaxation behavior and evolve towards certain…
In a recent study we have found that for a large number of systems the configuration entropy at pair level, $S_{c2}$, which is primarily determined by the structural information, vanishes at the mode coupling transition temperature $T_{c}$.…
We discuss the information entropy for a general open pointer-based simultaneous measurement and show how it is bound from below. This entropic uncertainty bound is a direct consequence of the structure of the entropy and can be obtained…
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…