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To meet burning needs of high-resolution pressure-induced line-shape parameters in the UV/visible regions for hot-temperature industrial and atmospheric applications as well as current and future space missions, phase-shift theory is…

Atmospheric and Oceanic Physics · Physics 2023-12-19 Jeanna Buldyreva , Ryan P. Brady , Sergei N. Yurchenko , Jonathan Tennyson

We consider the problem of sampling transition paths between two given metastable states of a molecular system, e.g. a folded and unfolded protein or products and reactants of a chemical reaction. Due to the existence of high energy…

Biomolecules · Quantitative Biology 2023-07-19 Lars Holdijk , Yuanqi Du , Ferry Hooft , Priyank Jaini , Bernd Ensing , Max Welling

Modeling of electron transport through organic molecules is presented in order to interpret the experimental data of Rosink et al. [PRB 62, 10459 (2000)]. Such results are understand as coherent off-resonance tunneling through the junction…

Soft Condensed Matter · Physics 2007-05-23 Kamil Walczak

In this paper we present a protocol for the implementation of a positive-operator-valued measure (POVM) on massive fermionic qubits. We present methods for implementing non-dispersive qubit transport, spin rotations and spin polarizing…

A graphical representation based on the isothermal current-voltage (IV) measurements of typical memristive interfaces is presented. This is the starting point to extract relevant microscopic information of the parameters that control the…

Materials Science · Physics 2017-04-26 C. Acha

In power distribution systems, the growing penetration of renewable energy resources brings new challenges to maintaining voltage safety, which is further complicated by the limited model information of distribution systems. To address…

Optimization and Control · Mathematics 2021-03-30 Xin Chen , Jorge I. Poveda , Na Li

We present a self-consistent method for the evaluation of the electronic current flowing through a multi-terminal molecular wire. The method is based on Buttiker- Landauer theory which relates the current to one-electron scattering…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Eldon G. Emberly , George Kirczenow

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…

Mesoscale and Nanoscale Physics · Physics 2024-11-05 María Camarasa-Gómez , Daniel Hernangómez-Pérez , Jan Wilhelm , Alexej Bagrets , Ferdinand Evers

We propose a new protocol of implementing continuous-variable quantum state transfer using partially disembodied transport. This protocol may improve the fidelity at the expense of the introduction of a semi-quantum channel between the…

Quantum Physics · Physics 2009-11-11 Jing Zhang , Changde Xie , Kunchi Peng

We demonstrate that a simple phenomenological approach can be used to simulate electronic conduction in molecular wires under thermal effects induced by the surrounding environment. This "Landauer-B\"uttiker's probe technique" can properly…

Chemical Physics · Physics 2015-08-25 Michael Kilgour , Dvira Segal

We derive a master equation for the electron transport through molecular wires in the limit of strong Coulomb repulsion. This approach is applied to two typical situations: First, we study transport through an open conduction channel for…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Franz J. Kaiser , Michael Strass , Sigmund Kohler , Peter Hänggi

The transport properties of a conduction junction model characterized by two mutually coupled channels that strongly differ in their couplings to the leads are investigated. Models of this type describe molecular redox junctions (where a…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Alexander J. White , Agostino Migliore , Michael Galperin , Abraham Nitzan

We propose a new approach to coherent control of transport via molecular junctions, which bypasses several of the hurdles to experimental realization of optically manipulated nanoelectronics noted in the previous literature. The method is…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 Boris D. Fainberg , Tamar Seideman

We study inelastic electron tunneling through a molecular junction using the non-equilibrium Green function (NEGF) formalism. The effect of the mutual influence between the phonon and the electron subsystems on the electron tunneling…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Michael Galperin , Mark A. Ratner , Abraham Nitzan

In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. They are typically computed using either the linear response of…

Numerical Analysis · Mathematics 2025-02-19 Pierre Monmarché , Renato Spacek , Gabriel Stoltz

III-V tunneling field-effect transistors (TFETs) offer great potentials in future low-power electronics application due to their steep subthreshold slope and large "on" current. Their 3D quantum transport study using non-equilibrium Green's…

Mesoscale and Nanoscale Physics · Physics 2016-10-04 Jun Z. Huang , Lining Zhang , Pengyu Long , Michael Povolotskyi , Gerhard Klimeck

We consider the transport spectroscopy of a quantum dot with an even number of electrons at finite bias voltage within the Coulomb blockade diamond. We calculate the tunneling current due to the elastic and inelastic co-tunneling processes…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 M. R. Wegewijs , Yu. V. Nazarov

Electronic transport properties of Au nano-structure are investigated using both experimental and theoretical analysis. Experimentally, stable Au nanowires were created using mechanically controllable break junction in air, and simultaneous…

Computational Physics · Physics 2009-11-07 H. Mehrez , Alex Wlasenko , Brian Larade , Jeremy Taylor , Peter Grutter , Hong Guo

The formation of well-defined three-dimensional (3D) redox-active molecular nanostructures at the electrode surfaces may open additional routes to achieve higher conductance in molecular junctions (MJs). We report here experimental and…

Materials Science · Physics 2023-11-30 Ritu Gupta , Shapath Bhandari , Savas Kaya , Konstantin P. Katin , Prakash Chandra Mondal

Achieving highly transmitting molecular junctions through resonant transport at low bias is key to the next-generation low-power molecular devices. Although, resonant transport in molecular junctions was observed by connecting a molecule…

Mesoscale and Nanoscale Physics · Physics 2023-08-09 Biswajit Pabi , Štepán Marek , Adwitiya Pal , Puja Kumari , Soumya Jyoti Ray , Arunabha Thakur , Richard Korytár , Atindra Nath Pal