Related papers: Variationally Derived Intermediates for Correlated…
We calculate analytically the probabilities for intuitive and counterintuitive transitions in a three-state system, in which two parallel energies are crossed by a third, tilted energy. The state with the tilted energy is coupled to the…
Recent theoretical predictions and experimental measurements have demonstrated that equilibrium free energy differences can be obtained from exponential averages of nonequilibrium work values. These results are similar in structure, but not…
Recent literature has found conditional transition rates to be a useful tool for avoiding Markov assumptions in multi-state models. While the estimation of univariate conditional transition rates has been extensively studied, the…
We develop a systematic procedure to approximate generalized free energy in out of equilibrium stochastic systems. The procedure only requires knowledge of the averages of macroscopic observables and uses quasi-equilibrium distribution to…
Different computational techniques in combination with molecular dynamics computer simulation are used to to determine the wall-liquid and the wall-crystal interfacial free energies of a modified Lennard-Jones (LJ) system in contact with a…
When studying high-dimensional dynamical systems such as macromolecules, quantum systems and polymers, a prime concern is the identification of the most probable states and their stationary probabilities or free energies. Often, these…
We consider the form of the current-voltage curves generated when tunneling spectroscopy is used to measure the energies of individual electronic energy levels in nanometer-scale systems. We point out that the voltage positions of the…
Ordinary differential equations are widely-used in the field of systems biology and chemical engineering to model chemical reaction networks. Numerous techniques have been developed to estimate parameters like rate constants, initial…
When discriminating between two pure quantum states, there exists a quantitative tradeoff between the information retrieved by the measurement and the disturbance caused on the unknown state. We derive the optimal tradeoff and provide the…
We derive a bound on the precision of state estimation for finite dimensional quantum systems and prove its attainability in the generic case where the spectrum is non-degenerate. Our results hold under an assumption called local asymptotic…
We consider a quantum system A U B made up of degrees of freedom that can be partitioned into spatially disjoint regions A and B. When the full system is in a pure state in which regions A and B are entangled, the quantum mechanics of…
Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…
Simulation of a system consisted of free particle bouncing on a vertically vibrated based is performed. Two different states, which are steady and unsteady energy transfer state are found. The vibrating based is hold at constant vibration…
In Markov Chain Monte Carlo (MCMC) simulations, the thermal equilibria quantities are estimated by ensemble average over a sample set containing a large number of correlated samples. These samples are selected in accordance with the…
We assume the direct sum <A> o <B> for the signal subspace. As a result of post- measurement, a number of operational contexts presuppose the a priori knowledge of the LB -dimensional "interfering" subspace <B> and the goal is to estimate…
We upper- and lower-bound the optimal precision with which one can estimate an unknown Hamiltonian parameter via measurements of Gibbs thermal states with a known temperature. The bounds depend on the uncertainty in the Hamiltonian term…
This paper describes a state estimation approach for non-causal time-varying linear descriptor equations with uncertain parameters. The uncertainty in the state equation and in the measurements is supposed to admit a set-membership…
We study the optimal way to estimate the quantum expectation value of a physical observable when a finite number of copies of a quantum pure state are presented. The optimal estimation is determined by minimizing the squared error averaged…
Excess contributions to the free energy due to interfaces occur for many problems encountered in the statistical physics of condensed matter when coexistence between different phases is possible (e.g. wetting phenomena, nucleation, crystal…
Interval-censored multi state data is collected when the state of a subject is observed periodically. The analysis of such data using non-parametric multi-state models was not possible until recently, but is very desirable as it allows for…