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Asymmetric line shapes can occur in the transmission function describing electron transport in the vicinity of a minimum caused by quantum interference effects. Such asymmetry can be used to increase the thermoelectric efficiency of…

介观与纳米尺度物理 · 物理学 2015-05-28 Robert Stadler , Troels Markussen

We introduce a geometry of interaction model for Mazza's multiport interaction combinators, a graph-theoretic formalism which is able to faithfully capture concurrent computation as embodied by process algebras like the $\pi$-calculus. The…

计算机科学中的逻辑 · 计算机科学 2017-04-18 Ugo Dal Lago , Ryo Tanaka , Akira Yoshimizu

This overview will give a glimpse into chemical design principles for exploiting quantum interference (QI) effects in molecular-scale devices. Direct observation of room temperature QI in single-molecule junctions has stimulated growing…

介观与纳米尺度物理 · 物理学 2017-12-19 Colin J. Lambert , Shi-Xia Liu

We employ various quantum-mechanical approaches for studying the impact of electric fields on both nonretarded and retarded noncovalent interactions between atoms or molecules. To this end, we apply perturbative and non-perturbative methods…

化学物理 · 物理学 2022-02-03 Mohammad Reza Karimpour , Dmitry V. Fedorov , Alexandre Tkatchenko

We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling between the electron and atom dynamics in solid/liquid interfacial systems. The method can describe simultaneously both the quantum…

材料科学 · 物理学 2021-02-03 Joshua D Elliott , Alessandro Troisi , Paola Carbone

Many-electron wavepacket dynamics based on time-dependent configuration interaction (TDCI) is a numerically rigorous approach to quantitatively model electron-transfer across molecular junctions. TDCI simulations of cyanobenzene…

化学物理 · 物理学 2020-06-24 Raghunathan Ramakrishnan

We study all-carbon-hydrogen molecular transistors where zigzag graphene nanoribbons play the role of three metallic electrodes connected to a ring-shaped 18-annulene molecule. Using the nonequilibrium Green function formalism combined with…

介观与纳米尺度物理 · 物理学 2010-12-02 Kamal K. Saha , Branislav K. Nikolic , Vincent Meunier , Wenchang Lu , J. Bernholc

Fix an abelian variety $A_0$ and a non-isotrivial abelian scheme over a smooth irreducible curve, both defined over the algebraic numbers. Consider the union of all images of translates of a fixed finite-rank subgroup of $A_0$, also defined…

数论 · 数学 2021-10-05 Gabriel Andreas Dill

We discuss the simulation of non-perturbative cavity-QED effects using systems of trapped ions. Specifically, we address the implementation of extended Dicke models with both collective dipole-field and direct dipole-dipole interactions,…

量子物理 · 物理学 2020-02-28 Tuomas Jaako , Juan José Garcia-Ripoll , Peter Rabl

Quantum interference is investigated within the complex quantum Hamilton-Jacobi formalism. As shown in a previous work [Phys. Rev. Lett. 102, 250401 (2009)], complex quantum trajectories display helical wrapping around stagnation tubes and…

量子物理 · 物理学 2010-09-09 Chia-Chun Chou , Angel S. Sanz , Salvador Miret-Artes , Robert E. Wyatt

Quasi-particle interference (QPI) is a powerful tool to characterize the symmetry of the superconducting order parameter in unconventional superconductors, by mapping the spatial dependence of elastic tunneling of electrons between the tip…

We study theoretically quantum statistical and spectral properties of the resonance fluorescence of a single atom or system with angular momentum $J=1/2 - J'=1/2$ driven by a monochromatic linearly polarized laser field, due to quantum…

This tutorial outlines the basic theoretical concepts and tools which underpin the fundamentals of phase-coherent electron transport through single molecules. The key quantity of interest is the transmission coefficient T(E), which yields…

介观与纳米尺度物理 · 物理学 2016-01-05 C J Lambert

We investigate within a coarse-grained model the conditions leading to the appearance of Fano resonances or anti-resonances in the conductance spectrum of a generic molecular junction with a side group (T-junction). By introducing a simple…

介观与纳米尺度物理 · 物理学 2015-06-04 Daijiro Nozaki , Haldun Sevincli , Stanislav M. Avdoshenko , Rafael Gutierrez , Gianaurelio Cuniberti

Single-molecule junctions - nanoscale systems where a molecule is connected to metallic electrodes - offer a unique platform for studying charge, spin and energy transport in non-equilibrium many-body quantum systems, with few parallels in…

介观与纳米尺度物理 · 物理学 2024-11-05 María Camarasa-Gómez , Daniel Hernangómez-Pérez , Jan Wilhelm , Alexej Bagrets , Ferdinand Evers

We propose a mechanism to control the interaction between adsorbates on graphene. The interaction between a pair of adsorbates---the change in adsorption energy of one adsorbate in the presence of another---is dominated by the interaction…

介观与纳米尺度物理 · 物理学 2013-09-13 Dmitry Solenov , Chad Junkermeier , Thomas L. Reinecke , Kirill A. Velizhanin

Describing systems of superconducting atoms coupled to a continuum of photonic modes at multiple separated locations in a waveguide, waveguide quantum electrodynamics (QED) with giant atoms has emerged as a promising platform for realizing…

量子物理 · 物理学 2026-05-28 Zong-Wei Wu , Jun-Hong An

We investigate the effects of lithium intercalation in twisted bilayers of graphene, using first-principles electronic structure calculations. To model this system we employ commensurate supercells that correspond to twist angles of…

介观与纳米尺度物理 · 物理学 2020-02-11 Daniel T. Larson , Stephen Carr , Georgios A. Tritsaris , Efthimios Kaxiras

Graph structure of quantum spin networks plays an essential role in applying quantum annealing (QA). The Ising model is the typical choice to describe the interactions between the spins in the networks. Here, we explore the interplay of…

量子物理 · 物理学 2021-12-20 Atalay Ege , Özgür E. Müstecaplıoğlu

We consider collisional properties of polyatomic aromatic hydrocarbon molecules immersed into ultracold atomic gases and investigate intermolecular interactions of exemplary benzene, naphthalene, and azulene with alkali-metal (Li, Na, K,…

化学物理 · 物理学 2019-06-28 Paweł Wójcik , Tatiana Korona , Michał Tomza