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Tunnel ionization (TI) underlies many important ultrafast processes, such as high-harmonic generation and strong-field ionization. Among the existing theories for TI, many-electron weak-field asymptotic theory (ME-WFAT) is by design capable…
We study a one-dimensional chain of identical atoms with two electronic orbitals and two electrons per atom, subject to an external oscillating pressure that periodically modulates the lattice spacing. This leads to time-dependent intra-…
Ion channels are important proteins for physiological information transfer and functional control. To predict the microscopic origins of their voltage-conductance characteristics, we here applied dissipation-corrected targeted Molecular…
The transport properties of a octane-dithiol (ODT) molecule coupled to Au(001) leads are analyzed using density functional theory and non-equilibrium Green functions. It is shown that a symmetric molecule can turn into a diode under…
A variant of the point defect model originally enunciated by Macdonald and co-workers is advanced and its theoretical implications for the steady state current density, barrier layer thickness and the concentration of metal vacancy at the…
Ion channels are membrane proteins responsible for an enormous range of biological functions. Ion selectivity and permeation are based on simple laws of physics and chemistry. Ion channels are therefore ideal candidates for physical…
In this paper, a nonuniform size modified Poisson-Boltzmann ion channel (nuSMPBIC) model is presented as a nonlinear system of an electrostatic potential and multiple ionic concentrations. It mixes nonlinear algebraic equations with a…
In any consistent electrochemical systems model that addresses more than one interface, the total current at the interfaces should be equal to one another and to the current in the external circuit. The point defect model of Macdonald and…
The recent demonstration of resonant tunneling transport in nitride semiconductors has led to an invigorated effort to harness this quantum transport regime for practical applications. In polar semiconductors, however, the interplay between…
Multiple conduction channels interacting with a quantum impurity -- a spin in the conventional ``multi-channel Kondo effect'' or a topological mesoscopic device (``topological Kondo effect'') -- has been proposed as a platform to realize…
Ion transport in biological and synthetic nanochannels is characterized by such phenomena as ion current fluctuations, rectification, and pumping. Recently, it has been shown that the nanofabricated synthetic pores could be considered as…
We consider error correction, based on the theory of non-commutative graphs, for a model of a qubit interacting with quantum oscillator. The dynamics of the composite system is governed by the Schr\"odinger equation which generates positive…
IPMCs consist of a Nafion(R) ionic polymer film coated on both sides with a thin layer of metallic electrodes. The polymer completely dissociates when it is saturated with water, releasing small cations while anions remain bound to the…
Defects creation and annihilation is a fundamental concept in device fabrication. This report studies the optical bandgap modification in MgO by MeV Ni ion irradiation-induced defect states between valance and conduction band. Ion…
Channeling and radiation are studied for the relativistic electrons and positrons passing through a Si crystal periodically bent with a small amplitude and a short period. Comprehensive analysis of the channeling process for various bending…
Natural proteins fold to a unique, thermodynamically dominant state. Modeling of the folding process and prediction of the native fold of proteins are two major unsolved problems in biophysics. Here, we show successful all-atom ab initio…
We extend the active learning emulators for two-body scattering in coordinate space with error estimation, recently developed by Maldonado et al. [Phys. Rev. C 112, 024002], to coupled-channel scattering in momentum space. Our full-order…
Recent experimental work has suggested that electroosmotic flows (EOF) through conical nanopores exhibit rectification in the opposite sense to the well-studied effect of ionic current rectification. A positive bias voltage generates large…
Superconducting electronics offer significant advantages in speed and power efficiency for next-generation computing and communication systems. However, their practical deployment is limited by the absence of simple, efficient, and scalable…
Janus --or two-sided, charged membranes offer promise as ionic current rectifiers. In such systems, pores consisting of two regions of opposite charge can be used to generate a current from a gradient in salinity. The efficiency of…