Related papers: Variationally Derived Intermediates for Correlated…
A simple method is proposed to estimate the instantaneous correlations between state variables in a hybrid system from the empirical correlations between observable market quantities such as spot rate, stock price and implied volatility.…
We study the transition probabilities of a two-point measurement on a quantum system, initially prepared in a thermal state. We find two independent constraints on the difference between transition probabilities when the system is prepared…
Systematic inaccuracy is inherent in any computational estimate of a non-linear average, such as the free energy difference (Delta-F) between two states or systems, because of the availability of only a finite number of data values, N. In…
The simulation of electronic properties is a pivotal issue in modern electronic structure theory, driving significant efforts over the past decades to develop protocols for computing energy derivatives. In this work, we address this problem…
From a recent geometric generalization of Thermodynamic Uncertainty Relations (TURs) we derive novel upper bounds on the nonlinear response of an observable of an arbitrary system undergoing a change of probabilistic state. Various…
The optimal state-independent lower bounds for the sum of variances or deviations of observables are of significance for the growing number of experiments that reach the uncertainty limited regime. We present a framework for computing the…
A new averaging method linking discrete to continuum variables of granular materials is developed and used to derive average balance equations. Its novelty lies in the choice of the decomposition between mean values and fluctuations of…
We derive an expression for the nearest-neighbor spacing distribution $P(s)$ of the energy levels of quantum systems with intermediate dynamics between regularity and chaos and missing levels due to random experimental errors. The…
We consider the van der Waals free energy functional in a bounded interval with inhomogeneous Dirichlet boundary conditions imposing the two stable phases at the endpoints. We compute the asymptotic free energy cost, as the length of the…
Thermodynamic quantities, such as heat and work, are not functions of state, but rather of the process undergone by a physical system. Assessing them can therefore be difficult, since it requires probing the system at least twice. This is…
Jarzynski's identity for the free energy difference between two equilibrium states can be viewed as a special case of a more general procedure based on phase space mappings. Solving a system's equation of motion by approximate means…
Free energy profile (FE Profile) is an essential quantity for the estimation of reaction rate and the validation of reaction mechanism. For chemical reactions in condensed phase or enzymatic reactions, the computation of FE profile at ab…
In this paper, we present an optimal filter for linear time-varying continuous-time stochastic systems that simultaneously estimates the states and unknown inputs in an unbiased minimum-variance sense. We first show that the unknown inputs…
We consider sequential hypothesis testing between two quantum states using adaptive and non-adaptive strategies. In this setting, samples of an unknown state are requested sequentially and a decision to either continue or to accept one of…
We present a method to explore the free energy landscapes of chemical reactions with post-transition-state bifurcations using an enhanced sampling method based on well-tempered metadynamics. Obviating the need for computationally expensive…
The difference Delta F between free energies has applications in biology, chemistry, and pharmacology. The value of Delta F can be estimated from experiments or simulations, via fluctuation theorems developed in statistical mechanics.…
We focus on using an architecture similar to the $\beta$-Variational Autoencoder ($\beta$-VAE) to discriminate if a quantum state is entangled or separable based on measurements. We split the data into two sets, the set of local and…
An expression is derived for the classical free energy difference between two configurations of a system, in terms of an ensemble of finite-time measurements of the work performed in parametrically switching from one configuration to the…
In this article we propose a method to estimate with high accuracy pure quantum states of a single qudit. Our method is based on the minimization of the squared error between the complex probability amplitudes of the unknown state and its…
The Zeroth Law of Thermodynamics states that if two systems are in thermal equilibrium with a third one, then they are also in equilibrium with each other. This study explores not only the final state of thermal equilibrium between ideal…