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A range of optimization cases of two-dimensional Stefan problems, solved using a tracking-type cost-functional, is presented. A level set method is used to capture the interface between the liquid and solid phases and an immersed boundary…
The anomalous self-energy plays an important role in the analysis of superconducting states. Its spectral weight provides information on the pairing glue of superconductors, but it can change in sign. In many numerical approaches, for…
We study Andreev-mediated transport and current fluctuations in interacting normal-superconducting quantum-dot systems. Using a generalized master equation based on real-time diagrammatics and full counting statistics, we compute the…
Scaling laws and universality are often associated with systems exhibiting emergent phenomena possessing a characteristic energy scale. We report nonequilibrium transport measurements on two different types of single-molecule transistor…
The pre-existing literature on phenomena at the mesoscopic scale is concerned among other things with phase coherent transport. Phase coherent transport dominates at very low temperatures. With increase in temperature, as the system size…
The non-linear collision-induced breakage equation has significant applications in particulate processes. Two semi-analytical techniques, namely homotopy analysis method (HAM) and accelerated homotopy perturbation method (AHPM) are…
The surface Boundary Element Method (BEM) is one of the most commonly employed formulations to solve the forward problem in electroencephalography, but the applicability of its classical incarnations is lamentably limited to piece-wise…
Based on the framework of Kubo formulism, we develop the minimally entangled typical thermal state algorithm to study the temperature and time dependence of current-current correlation function in one-dimensional spinless fermion model,…
This paper addresses the problem of estimating the modes of an observed non-stationary mixture signal in the presence of an arbitrary distributed noise. A novel Bayesian model is introduced to estimate the model parameters from the…
The Kubo formula for the conductance of a mesoscopic system is analyzed semiclassically, yielding simple expressions for both weak localization and universal conductance fluctuations. In contrast to earlier work which dealt with times…
In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. They are typically computed using either the linear response of…
We investigate the out-of-equilibrium properties of a simple quantum impurity model, the interacting resonant level model (IRLM). We focus on the scaling regime, where the bandwidth of the fermions in the leads is larger than all the other…
Jaynes' maximum entropy (MaxEnt) principle was recently used to give a conditional, local derivation of the ``maximum entropy production'' (MEP) principle, which states that a flow system with fixed flow(s) or gradient(s) will converge to a…
The effect of a magnetic field on the equilibrium spectral and transport properties of a single-molecule junction is studied using the numerical renormalization group method. The molecule is described by the Anderson-Holstein model in which…
Data-driven modelling and computational predictions based on maximum entropy principle (MaxEnt-principle) aim at finding as-simple-as-possible - but not simpler then necessary - models that allow to avoid the data overfitting problem. We…
We report on dynamical quantum transport simulations for realistic molecular devices based on an approximate formulation of time-dependent Density Functional Theory with open boundary conditions. The method allows for the computation of…
We study the interplay between strong correlations and Markovian dephasing, resulting from monitoring the charge or spin degrees of freedom of a quantum dot described by a dissipative Anderson impurity model. Using the Auxiliary master…
We propose a way to properly interpret the apparent thermal conductivity obtained for finite systems using equilibrium molecular dynamics simulations (EMD) with fixed or open boundary conditions in the transport direction. In such systems…
We have used the Kubo formula to calculate the temperature dependence of the electrical conductance of the double exchange Hamiltonian. We average the conductance over an statistical ensemble of clusters, which are obtained by performing…
A powerful method for mobility spectrum analysis is presented, based on Bryan's maximum entropy algorithm. The Bayesian analysis central to Bryan's algorithm ensures that we avoid overfitting of data, resulting in a physically reasonable…