Related papers: Coherent Potential Approximation as a Voltage Prob…
Molecular simulations of polymer rely on accurate force fields to describe the inter-atomic interactions. In this work, we use first-principles density functional theory (DFT) calculations to parameterize a united-atom force field for…
The coherent potential approximation has historically allowed the efficient study of disorder effects over a variety of solid state systems. Its original formulation is however limited to a single-site or uncorrelated model of local…
Elucidating the impact of strong electronic interactions on the collective excitations of metallic systems has been of longstanding interest, mainly due to the inadequacy of the random phase approximation (RPA) in the strongly correlated…
Achieving the very special condition of perfect absorption (PA) in a complex scattering enclosure promises to enable a wealth of applications in secure communication, precision sensing, wireless power transfer, analog signal processing and…
Coherent perfect absorption (CPA)-the time-reversed operation of lasing at threshold-relies on finely tuned interference and is intrinsically fragile to disorder and structural imperfections. Whether absorption can be endowed with…
We study the transport properties of a quantum wire, described by the Tomonaga-Luttinger model, in the presence of a backscattering potential provided by several extended time-dependent impurities (barriers). Employing the B\"…
Photoacoustic (PA) imaging systems are spreading in the biomedical community, and the de-velopment of new PA contrast agents is an active area of research. However, PA contrast agents are usually characterized with spectrophotometry or…
The Landauer approach to transport in mesoscopic conductors has been generalized to allow for strong electronic correlations in a single-channel quantum wire. We describe in detail how to account for external voltage sources in adiabatic…
This work studies estimation of sparse principal components in high dimensions. Specifically, we consider a class of estimators based on kernel PCA, generalizing the covariance thresholding algorithm proposed by Krauthgamer et al. (2015).…
We study the electronic properties of a linear trans-polyacetylene (tPA) molecule capacitively coupled to an external gate voltage $V_g$ of width $d$. We describe this system using the Takayama-Lin-Liu-Maki (TLM) model in the continuum, and…
Continuum Approximation (CA) is an efficient and parsimonious technique for modeling complex logistics problems. In this paper,we review recent studies that develop CA models for transportation, distribution and logistics problems with the…
We study thermal equilibrium of classical pointlike counterions confined between symmetrically charged walls at distance $d$. At very large couplings when the counterion system is in its crystal phase, a harmonic expansion of particle…
Electronic correlation energies from the random-phase approximation converge slowly with respect to the plane wave basis set size. We study the conditions, under which a short-range local density functional can be used to account for the…
The accurate computation of non-linear optical properties (NLOPs) in large polymers requires accounting for electronic correlation effects with a reasonable computational cost. The Random Phase Approximation (RPA) used in the adiabatic…
Interference effects in finite sections of one-dimensional moir\'e crystals are investigated using a Landauer-B\"uttiker formalism within the tight-binding approximation. We explain interlayer transport in double-wall carbon nanotubes and…
Quasi-periodic lattice systems offer diverse transport properties. In this work, we investigate the environment induced effects on transport properties for quasi-periodic systems, namely the one-dimensional Aubry-Andr\'e-Harper (AAH)…
An amazingly simple model of correlated disorder is a one-dimensional chain of n potential steps with a fixed width lc and random heights. A theoretical analysis of the average transmission coefficient and Landauer resistance as functions…
We develop a machine-learned interatomic potential for AlCrCuFeNi high-entropy alloys (HEA) using a diverse set of structures from density functional theory calculated including magnetic effects. The potential is based on the…
Accurate estimation of single-phase permeability (k) has broad application in numerous areas, particularly modeling flow and transport in porous materials. Various techniques have been proposed in the literature to estimate k from other…
Conducting Polymer Dendrites (CPD) are truly inspiring for unconventional electronics that shapes topological circuitries evolving upon an application. Driven by electrochemical processes, an electrochemical impedance rules signal…