Related papers: Selective Fermi-Level Pinning: A Design Strategy f…
We present a theoretical study of the electronic transport through single-molecule junctions incorporating a Pt6 metal cluster bound within an organic framework. We show that the insertion of this molecule between a pair of electrodes leads…
We show that individual vibrational modes in single-molecule junctions with asymmetric molecule-lead coupling can be selectively excited by applying an external bias voltage. Thereby, a non-statistical distribution of vibrational energy can…
The appealing feature of molecular electronics is the possibility of exploiting functionality built within a single molecule. This functionality can be employed, for example, for sensing or switching purposes. Thus, ideally, the associated…
Despite the intense theoretical and experimental effort, an understanding of the superconducting pairing mechanism of the high-temperature superconductors, leading to an unprecedented high transition temperature $T_c$, is still lacking.…
We demonstrate a new class of molecules for exceptional performance in molecular electronics and spintronics. Phenalenyl-based radicals are stable radicals whose electronic properties can be tuned readily by heteroatom substitution. We…
We study coherent transport in a system of a periodic linear chain of quantum dots placed between two parallel quantum wires. We show that resonant-tunneling conductance between the wires exhibits a Rabi splitting of the resonance peak as a…
Proteins need to selectively interact with specific targets among a multitude of similar molecules in the cell. But despite a firm physical understanding of binding interactions, we lack a general theory of how proteins evolve high…
Scanning tunnelling microscopy and low energy electron diffraction show a dimerization-like reconstruction in the one-dimensional atomic chains on Bi(114) at low temperatures. While one-dimensional systems are generally unstable against…
The prediction of structure dependent molecular properties, such as collision cross sections as measured using ion mobility spectrometry, are crucially dependent on the selection of the correct population of molecular conformers. Here, we…
Tailoring the decay rate of structured quantum emitters into their environment opens new avenues for nonlinear quantum optics, collective phenomena, and quantum communications. Here we demonstrate a novel coupling scheme between an…
Trajectory planning for mobile robots in cluttered environments remains a major challenge due to narrow passages, where conventional methods often fail or generate suboptimal paths. To address this issue, we propose the adaptive trajectory…
The anchoring of the molecule to an electrode is known to be a key factor in single-molecule spintronics experiments. Likewise, a relaxation down to the most stable geometry is a critical step in theoretical simulations of transport through…
In many animal sensory pathways, the transformation from external stimuli to spike trains is essentially deterministic. In this context, a new mathematical framework for coding and reconstruction, based on a biologically plausible model of…
Topological band theory has transformed our understanding of crystalline materials by classifying the connectivity and crossings of electronic energy levels. Extending these concepts to molecular systems has therefore attracted significant…
Building more powerful quantum computers requires manufacturing processes with tight tolerances. To improve the tolerances on Josephson junctions, techniques to fine tune their properties after fabrication have been developed. Understanding…
The atomically precise placement of dopants in semiconductors using scanning tunneling microscopes has been used to create planar dopant-based devices, enabling the exploration of novel classical or quantum computing concepts, which often…
The coherent manipulation of quantum states is one of the main tasks required in quantum computation. In this paper we demonstrate that it is possible to control coherently the electronic position of a particle in a quantum-dot array. By…
Finite element methods based on cut-cells are becoming increasingly popular because of their advantages over formulations based on body-fitted meshes for problems with moving interfaces. In such methods, the cells (or elements) which are…
I analyze electron transport through a Y-junction formed by helical edge states of a two-dimensional topological insulator (2DTI), focusing on the strongly interacting regime. An experimentally motivated device geometry and a…
The Non-Equilibrium Green's Function (NEGF) method combined with ab initio calculations has been widely used to study charge transport in molecular junctions. However, the significant computational demands of high-resolution calculations…