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Biological ion channels balance electrostatic and dehydration effects to yield large ion selectivities alongside high transport rates. These macromolecular systems are often interrogated through point mutations of their pore domain,…

Mesoscale and Nanoscale Physics · Physics 2019-07-19 Subin Sahu , Justin Elenewski , Christoph Rohmann , Michael Zwolak

We present a gradient-based optimal-control technique for open quantum systems that utilizes quantum trajectories to simulate the quantum dynamics during optimization. Using trajectories allows for optimizing open systems with less…

Quantum Physics · Physics 2019-06-03 Mohamed Abdelhafez , David I. Schuster , Jens Koch

By connecting multiple quantum computers (QCs) through classical and quantum channels, a quantum communication network can be formed. This gives rise to new applications such as blind quantum computing, distributed quantum computing, and…

Quantum Physics · Physics 2024-09-18 Leo Sünkel , Manik Dawar , Thomas Gabor

Controlling the evolution of nonequilibrium systems to minimize dissipated heat or work is a key goal for designing nanodevices, both in nanotechnology and biology. Progress in computing optimal protocols has thus far been limited to either…

Computational Physics · Physics 2022-01-04 Megan C. Engel , Jamie A. Smith , Michael P. Brenner

We propose an efficient approach for simultaneous prediction of thermal and electronic transport properties in complex materials. Firstly, a highly efficient machine-learned neuroevolution potential is trained using reference data from…

Materials Science · Physics 2024-04-08 Zheyong Fan , Yang Xiao , Yanzhou Wang , Penghua Ying , Shunda Chen , Haikuan Dong

Accurately modelling many-body quantum transport systems poses a challenge both conceptually and computationally due to the growth of the Hilbert space and the multi-scale nature of the geometries and couplings present in most naturally…

Quantum Physics · Physics 2026-05-06 Adam Burgess , Nicholas Werren , Erik M. Gauger

Recently double-bracket quantum algorithms have been proposed as a way to compile circuits for approximating eigenstates. Physically, they consist of appropriately composing evolutions under an input Hamiltonian together with diagonal…

The quantum transport formalism based on tight-binding models is known to be powerful in dealing with a wide range of open physical systems subject to external driving forces but is, at the same time, limited by the memory requirement's…

Mesoscale and Nanoscale Physics · Physics 2012-10-01 Ming-Hao Liu , Klaus Richter

This paper presents a variational representation of the Bayes' law using optimal transportation theory. The variational representation is in terms of the optimal transportation between the joint distribution of the (state, observation) and…

Optimization and Control · Mathematics 2022-09-14 Amirhossein Taghvaei , Bamdad Hosseini

We study electronic quantum transport in graphene nanoribbon (GNR) networks on mesoscopic length scales. We focus on zigzag GNRs and investigate the conductance properties of statistical networks. To this end we use a…

Mesoscale and Nanoscale Physics · Physics 2023-01-11 Tom Simon Rodemund , Fabian Teichert , Martina Hentschel , Jörg Schuster

In the quantum optimization paradigm, variational quantum algorithms face challenges with hardware-specific and instance-dependent parameter tuning, which can lead to computational inefficiencies. The promising potential of parameter…

The dispatch optimization of coal mine integrated energy system is challenging due to high dimensionality, strong coupling constraints, and multiobjective. Existing constrained multiobjective evolutionary algorithms struggle with locating…

Neural and Evolutionary Computing · Computer Science 2024-07-02 Canyun Dai , Xiaoyan Sun , Hejuan Hu , Wei Song , Yong Zhang , Dunwei Gong

We formulate and solve a class of finite-time transport and mixing problems in the set-oriented framework. The aim is to obtain optimal discrete-time perturbations in nonlinear dynamical systems to transport a specified initial measure on…

Dynamical Systems · Mathematics 2017-11-22 Piyush Grover , Karthik Elamvazhuthi

In this paper, we introduce optimal versions of a multi-port based teleportation scheme allowing to send a large amount of quantum information. We fully characterise probabilistic and deterministic case by presenting expressions for the…

Quantum Physics · Physics 2021-06-18 Marek Mozrzymas , Michał Studziński , Piotr Kopszak

In this work, we evaluate an evolutionary algorithm (EA) to optimize a given circuit in such a way that it reduces the required communication when executed in the Distributed Quantum Computing (DQC) paradigm. We evaluate our approach for a…

We study electron transport in a strained graphene sheet subjected to a sequence of $N$ electrostatic and magnetic barriers. Employing a modified and improved transfer-matrix framework, we examine how the transmission and reflection…

The optimal charging infrastructure planning problem over a large geospatial area is challenging due to the increasing network sizes of the transportation system and the electric grid. The coupling between the electric vehicle travel…

Artificial Intelligence · Computer Science 2020-11-20 Wanshi Hong , Cong Zhang , Cy Chan , Bin Wang

The evolution of electronic wave packets (WPs) through grain boundaries (GBs) of various structures in graphene was investigated by the numerical solution of the time-dependent Schroedinger equation. WPs were injected from a simulated STM…

Mesoscale and Nanoscale Physics · Physics 2013-08-12 Péter Vancsó , Géza I. Márk , Philippe Lambin , Alexandre Mayer , Yong-Sung Kim , Chanyong Hwang , László P. Biró

Non-equilibrium electronic quantum transport is crucial for the operation of existing and envisioned electronic, optoelectronic, and spintronic devices. The ultimate goal of encompassing atomistic to mesoscopic length scales in the same…

Computational Physics · Physics 2024-10-08 Saurabh Sawant , François Léonard , Zhi Yao , Andrew Nonaka

As most materials available in macroscopic quantities, graphene appears in a polycrystalline form and thus contains grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene…

Mesoscale and Nanoscale Physics · Physics 2016-06-07 Viet Hung Nguyen , Trinh Xuan Hoang , Philippe Dollfus , Jean-Christophe Charlier