Related papers: Particle current rectification in a quasi-periodic…
Chiral-induced-spin-selectivity of electron transport and its interplay with DNA's mechanical motion is explored in a double stranded DNA helix with spin-orbit-coupling. The mechanical degree of freedom is treated as a stochastic classical…
We present a study of non-sequential double recombination (NSDR) high harmonic generation (HHG) in a molecular-like system. Using a Coulomb-corrected three-step model we are able to classically describe the observed NSDR HHG cutoffs…
In this study, we investigate the electronic structures of 13-11-13 and 15-13-15 armchair graphene nanoribbon (AGNR) superlattices (SLs) using a tight-binding model. We demonstrate that the conduction and valence subbands of 15-13-15 AGNR…
We introduce a numerical algorithm to stochastically sample the dual fermion perturbation series around the dynamical mean field theory, generating all topologies of two-particle interaction vertices. We show results in the weak and strong…
Devices for nano- and molecular size electronics are currently a focus of research aimed at an efficient current rectification and switching. A few generic molecular scale devices are reviewed here on the basis of first-principles and model…
We demonstrate that two-dimensional (2D) arrays of coupled quantum dots (QDs) with six-fold degenerate p orbitals can display bistable states, suitable for application in high-density memory device with low power consumption. Due to the…
Recent experimental realization of dipolar Fermi gases near or below quantum degeneracy provides opportunity to engineer Hubbard-like models with long range interactions. Motivated by these experiments, we chart out the theoretical phase…
We model an overdamped Brownian particle that is subject to resetting facilitated by a ratchet potential on a spatially periodic domain. This asymmetric potential switches on with a constant rate, but switches off again only upon the…
A nonequilibrium Green's functions (NEGF) approach for spatially inhomogeneous, strongly correlated artificial atoms is presented and applied to compute the time-dependent properties while starting from a (correlated) initial few-electron…
We characterize the particle transport, particle loss, and nonequilibrium steady states in a dissipative one-dimensional lattice connected to reservoirs at both ends. The free-fermion reservoirs are fixed at different chemical potentials,…
Sequential tunneling model is used to study electron transport in molecular rectifiers based on structures of donor-bridge-acceptor type. The device is made of two metallic electrodes connected by a molecule, which contains acceptor and…
While the thermodynamics of DNA hybridization is well understood, much less is known about the kinetics of this classic system. Filling this gap in our understanding has new urgency because DNA nanotechnology often depends critically on…
The self-energy, spectral functions and susceptibilities of 2D systems with strong ferromagnetic fluctuations are considered within the quasistatic approach. The self-energy at low temperatures T has a non-Fermi liquid form in the energy…
In the field of DNA nanotechnology, it is common wisdom that charge transport occurs through the {\pi} stacked bases of double-stranded DNA. However, recent experimental findings by Zhuravel et. al. [Nat. Nanotech. 15, 836 (2020)] suggest…
We study quantum entanglement and its relation to transport in a non-equilibrium interacting double dot system connected to electronic baths. The dynamical properties in the non-interacting regime are studied using an exact numerical…
We present the effects of nonlinear corrections to the single differential cross section d\sigma/dQ^2 and the reduced cross section \sigma_r (x,Q^2) for the neutral current (NC) e-p scattering at the leading order (LO) and the…
The theoretical description of modern nanoelectronic devices requires a quantum mechanical treatment and often involves disorder, e.g. form alloys. Therefore, the ab initio theory of transport using non-equilibrium Green's functions is…
A modified density matrix renormalization group (DMRG) algorithm is applied to the zigzag spin-1/2 chain with frustrated antiferromagnetic exchange $J_1$, $J_2$ between first and second neighbors. The modified algorithm yields accurate…
We introduce diagrammatic technique for Hubbard nonequilibrium Green functions (NEGF). The formulation is an extension of equilibrium considerations for strongly correlated lattice models to description of current carrying molecular…
This work proposes a hybrid modeling framework based on recurrent neural networks (RNNs) and the finite element (FE) method to approximate model discrepancies in time dependent, multi-fidelity problems, and use the trained hybrid models to…