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The interplay between vibrational modes and Kondo physics is a fundamental aspect of transport properties of correlated molecular conductors. We present theoretical results for a single molecule in the Kondo regime connected to left and…
We investigate electronic thermal rectification in ferromagnetic insulator-based superconducting tunnel junctions. Ferromagnetic insulators coupled to superconductors are known to induce sizable spin splitting in the superconducting density…
Based on the non-equilibrium Green's function (NEGF) technique and the Landauer-B\"{u}ttiker theory, the possibility of a molecular spin-electronic device, which consists of a single C$_{60}$ molecule attached to two ferromagnetic…
Efficient modal feature fusion strategy is the key to achieve accurate segmentation of brain glioma. However, due to the specificity of different MRI modes, it is difficult to carry out cross-modal fusion with large differences in modal…
Non-Fermi liquids arise when strong interactions destroy stable fermionic quasiparticles. The simplest models featuring this phenomenon involve a Fermi surface coupled to fluctuating gapless bosonic order parameter fields, broadly referred…
The accurate description of electron correlation is a central challenge in computational chemistry, with selected configuration interaction (SCI) emerging as a powerful tool to approach the full CI limit. While recent machine learning (ML)…
Spin-resolved electron symmetry filtering is a key mechanism behind giant tunneling magnetoresistance (TMR) in Fe/MgO/Fe and similar magnetic tunnel junctions (MTJs), providing room temperature functionality in modern spin electronics.…
Reservoir engineering is a powerful tool for the robust generation of quantum states or transport properties. Using both a weak-coupling quantum master equation and the exact solution, we show that directional transport of electrons through…
While a growing body of research indicates that relativistic magnetic reconnection is a prodigious source of particle acceleration in high-energy astrophysical systems, the dominant acceleration mechanism remains controversial. Using a…
Structural disorder is present in almost all experimental measurements of electronic transport through single molecules or molecular wires. To assess its influence on the conductance is computationally demanding, because a large number of…
The function of protein, RNA, and DNA is modulated by fast, dynamic exchanges between three-dimensional conformations. Conformational sampling of biomolecules with exact and nullspace inverse kinematics, using rotatable bonds as revolute…
Single molecular rotor is an important component for constructing bot-tom-up molecular mechanical machines and a window for shedding light on complex physical and chemical questions about motions of organic molecules on surfaces. Stability…
Correlated fermions are of high interest in condensed matter (Fermi liquids, Wigner molecules), cold atomic gases and dense plasmas. Here we propose a novel approach to path integral Monte Carlo (PIMC) simulations of strongly degenerate…
Single-molecule localization microscopy (SMLM) allows reconstructing biology-relevant structures beyond the diffraction limit by detecting and localizing individual fluorophores -- fluorescent molecules stained onto the observed specimen --…
Despite the enormous progress achieved during the past decade, nanoelectronic devices based on two-dimensional (2D) semiconductors still suffer from a limited electrical stability. This limited stability has been shown to result from the…
Recent observations of destructive quantum interference in single-molecule junctions confirm the role played by quantum effects in the electronic conductance properties of molecular systems. We show here that the destructive interference…
Molecular electronics originally proposed that small molecules sandwiched between electrodes would accomplish electronic functions and enable to reach ultimate scaling. However, so far, functional molecular devices have been only…
We compare the charge transport characteristics of heavy doped p- and n-Si-alkyl chain/Hg junctions. Photoelectron spectroscopy (UPS, IPES and XPS) results for the molecule-Si band alignment at equilibrium show the Fermi level to LUMO…
Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A…
This paper focuses on molecular communication (MC) systems using two types of signaling molecules which may participate in a reversible bimolecular reaction in the channel. The motivation for studying these MC systems is that they can…