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The characteristics of molecular electronic devices are critically determined by metal-organic interfaces, which influence the arrangement of the orbital levels that participate in charge transport. Studies on self-assembled monolayers…
Block-copolymer electrolytes with lamellar microstructure show promising results regarding the ion transport in experiments. Motivated by these observations we study block-copolymers consisting of a polystyrene (PS) block and a…
In this paper I discuss the electronic structure and properties of a specific, rather unconventional class of transition metal (TM) compounds, e.g. TM oxides, which formally have unusually high values of the oxidation state, or valence, of…
The enormous structural and chemical diversity of metal-organic frameworks (MOFs) forces researchers to actively use simulation techniques on an equal footing with experiments. MOFs are widely known for outstanding adsorption properties, so…
The problem of high-speed transport for cold atoms with minimal heating has received considerable attention in theory and experiment. Much theoretical work has focused on solutions of general problems, often assuming a harmonic trapping…
Recent demonstrations of inverted thermal activation of charge mobility in polymer field-effect transistors have excited the interest in transport regimes not limited by thermal barriers. However, rationalization of the limiting factors to…
Within the real-time formulation of nonequilibrium field theory, generalized transport equations are derived avoiding the standard quasiparticle approximation. They permit to include unstable particles into the transport scheme. In order to…
In this review, latest updates in the poly (ethylene oxide) based electrolytes are summarized. The ultimate goal of researchers globally is towards the development of free standing solid polymeric separator for energy storage devices. This…
This paper investigates the thermoelectric properties of solid polymer electrolytes (SPE) containing lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and sodium bis(trifluoromethanesulfonyl)imide (NaTFSI) salts, along with carbon-based…
Fusion excitation function of $^{35}$Cl + $^{130}$Te system is measured in the energy range around the Coulomb barrier and analyzed in the framework of the coupled-channels approach. The role of projectile deformation, nuclear structure,…
Compression has been a critical lens to understand the success of Transformers. In the past, we have typically taken the target distribution as a criterion to evaluate a model's compression performance. Nevertheless,it often remains…
A new theoretical approach to 1:1 electrolytes at low temperature is developed, RPM and SAPM are studied with this approach, and their critical points of first order phase transition are calculated. The result is in very good agreement with…
We consider the junction of multiple one-dimensional systems and study how conserved currents transport at the junction. To characterize the transport process, we introduce reflection/transmission coefficients by applying boundary conformal…
Transfer entropy is a widely used measure for quantifying directed information flows in complex systems. While the challenges of estimating transfer entropy for continuous data are well known, it has two major shortcomings for data of…
Recent advances in experimental techniques allow one to create a quantum point contact between two Fermi superfluids in cold atomic gases with a tunable transmission coefficient. In this Letter we propose that three distinct behaviors of…
Numerical simulations of L-mode plasma turbulence in the Scrape Off Layer of MAST are presented. Relevant features of the boundary plasma, such as the thickness of the density layer or the statistics of the fluctuations are related to the…
We have studied the temperature dependence of the photoemission spectra of Pr$_{1-x}$Ca$_x$MnO$_3$ (PCMO) with $x=0.25$, 0.3 and 0.5. For $x=0.3$ and 0.5, we observed a gap in the low-temperature CE-type charge-ordered (CO) phase and a…
Acquiring quantitative information on charge transfer (CT) dynamics at the nanoscale remains an important scientific challenge. In particular, CT processes in single molecules at surfaces needs to be investigated to be properly controlled…
Transport coefficients are of crucial importance in theoretical as well as experimental studies. Despite substantial research on classical hard sphere/disk gases in low and high density regimes, a thorough investigation of transport…
A statistical model of resistor network is proposed to describe a polymer structure and to simulate the real and imaginary components of its ac resistivity. It takes into account the polydispersiveness of the material as well as intrachain…