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Inelastic effects in the Coulomb blockade and Kondo regimes of electron transport through molecular junctions are considered within a simple nonequilibrium equation-of-motion (EOM) approach. The scheme is self-consistent, and can…
The multifrequency electrical impedance tomography is considered in order to image a conductivity inclusion inside a homogeneous background medium by injecting one current. An original spectral decomposition of the solution of the forward…
Recent proposals of measuring bipartite Renyi entropy experimentally involve techniques that hold exactly for non-interacting quantum particles. Here we consider the difference between such measurements and the actual Renyi entropy for…
Electronic effects are believed to be important in high--energy radiation damage processes where high electronic temperature is expected, yet their effects are not currently understood. Here, we perform molecular dynamics simulations of…
Electrochemical Impedance Spectroscopy (EIS) is a crucial technique for assessing corrosion of a metallic materials. The analysis of EIS hinges on the selection of an appropriate equivalent circuit model (ECM) that accurately characterizes…
Electron-phonon coupling (EPC) is key for understanding many properties of materials such as superconductivity and electric resistivity. Although first principles density-functional-theory (DFT) based EPC calculations are used widely, their…
We investigate the thermoelectric response of a coherent conductor in contact with a scanning probe. Coupling to the probe has the dual effect of allowing for the controlled local injection of heat currents into the system and of inducing…
Spurred by the increasing needs in electrochemical energy storage devices, the electrode/electrolyte interface has received a lot of interest in recent years. Molecular dynamics simulations play a proeminent role in this field since they…
A striking feature of 3 dimensional (3D) topological insulators (TIs) is the theoretically expected topological magneto-electric (TME) effect, which gives rise to additional terms in Maxwell's laws of electromagnetism with an universal…
As we use the standard model effective field theory to search for signs of new physics beyond the direct reach of the LHC, we often wonder what we may learn from the effective field theory, and what it would look like to make a discovery…
The quantum diffraction and symmetry effects on the entanglement fidelity (EF) of different elastic electron-electron, ion-ion and electron-ion interactions are investigated in non-ideal dense plasma. The partial wave analysis and an…
Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three…
Using exact-diagonalization techniques supplemented by a Dyson equation embedding procedure, the transport properties of multilevel quantum dots are investigated in the Kondo regime. The conductance can be decomposed into the contributions…
In this work, we present a parallel, fully-distributed finite element numerical framework to simulate the low-frequency electromagnetic response of superconducting devices, which allows to efficiently exploit HPC platforms. We select the…
The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…
Transistors are the cornerstone of modern electronics. Yet, their relatively complex characteristics, allied with often observed great parameter variation, remain a challenge for discrete and integrated electronics. Much of transistor…
Electron-electron interactions generally reduce the low temperature resistivity due to the screening of the impurity potential by the electron gas. In the weak-coupling limit, the magnitude of this screening effect is determined by the…
Solid state impedance spectroscopy enables the various contributions to the resistive and capacitive properties of electronically inhomogeneous condensed matter to be deconvoluted and characterized separately. The different contributions…
We present an extension of the tunneling theory for scanning tunneling microcopy (STM) to include different types of vibrational-electronic couplings responsible for inelastic contributions to the tunnel current in the strong-coupling…
The design of electromagnetic coils may require evaluation of several quantities that are challenging to compute numerically. These quantities include Lorentz forces, which may be a limiting factor due to stresses; the internal magnetic…