Wyniki wyszukiwania dla: QUANTUM CHEMICAL SIMULATIONS - MOST Wiedzy

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Wyniki wyszukiwania dla: QUANTUM CHEMICAL SIMULATIONS

Wyniki wyszukiwania dla: QUANTUM CHEMICAL SIMULATIONS

  • Consistency of Quantum Computation and the Equivalence Principle.

    Publikacja

    The equivalence principle, being one of the building blocks of general relativity, seems to be crucial for analysis of quantum effects in gravity. In this paper we consider the relation between the equivalence principle and the consistency of quantum information processing in gravitational field. We propose an analysis with a looped evolution consisting of steps both in the gravitational field and in the accelerated reference frame....

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  • Direct estimation of linear and nonlinear functionals of quantum state

    Publikacja
    • A. Ekert
    • C. M. Alves
    • D. K. Oi
    • M. Horodecki
    • P. Horodecki
    • L. C. Kwek

    - PHYSICAL REVIEW LETTERS - Rok 2002

    We present a simple quantum network, based on the controlled-SWAP gate, that can extract certain properties of quantum states without recourse to quantum tomography. It can be used as a basic building block for direct quantum estimations of both linear and nonlinear functionals of any density operator. The network has many potential applications ranging from purity tests and eigenvalue estimations to direct characterization of...

  • Leszek Ziemczonek dr

    Osoby

    University education 1973-1978 – Nicolaus Copernicus University in Toruń, University of Gdańsk in Gdańsk, Mathematical Physics, M. Sc. 1979 – Diploma of Postgraduate Studies, Pedagogics 1989 – Institute of Physics, Polish Academy of Sciences in Warsaw, Theoretical Physics, Ph. D. 2010-2012 – Diploma of Postgraduate Studies, Mathematics Training: ·         09.1983 – Trieste (Italy) – International Centre for Theoretical Physics...

  • Direct detection of quantum entanglement

    Publikacja

    - PHYSICAL REVIEW LETTERS - Rok 2002

    Basing on positive maps separability criterion we propose the experimentally viable, direct detection of quantum entanglement. It is efficient and does not require any a priori knowledge about the state. For two qubits it provides a sharp (i.e., “if and only if”) separability test and estimation of amount of entanglement. We view this method as a new form of quantum computation, namely, as a decision problem with quantum data structure.

  • Anomalous decay of quantum correlations of quantum-dot qubits

    Publikacja

    - PHYSICAL REVIEW A - Rok 2013

    We study the evolution of quantum correlations, quantified by the geometric discord, of two excitonic quantum-dot qubits under the influence of the phonon environment. We show that the decay of these correlations differs substantially from the decay of entanglement. Instead of displaying sudden-death-type behavior, the geometric discord shows a tendency to undergo transitions between different types of decay, is sensitive to nonlocal...

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  • No Quantum Realization of Extremal No-Signaling Boxes

    Publikacja

    - PHYSICAL REVIEW LETTERS - Rok 2016

    The study of quantum correlations is important for fundamental reasons as well as for quantum communication and information processing tasks. On the one hand, it is of tremendous interest to derive the correlations produced by measurements on separated composite quantum systems from within the set of all correlations obeying the no-signaling principle of relativity, by means of information-theoretic principles. On the other hand,...

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  • Quantum metrology: Heisenberg limit with bound entanglement

    Publikacja

    - PHYSICAL REVIEW A - Rok 2015

    Quantum entanglement may provide a huge boost in the precision of parameter estimation. However, quantum metrology seems to be extremely sensitive to noise in the probe state. There is an important still open question: What type of entanglement is useful as a resource in quantum metrology? Here we raise this question in relation to entanglement distillation. We provide a counterintuitive example of a family of bound entangled states...

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  • Generic emergence of classical features in quantum Darwinism

    Publikacja

    - Nature Communications - Rok 2015

    Quantum Darwinism posits that only specific information about a quantum system that is redundantly proliferated to many parts of its environment becomes accessible and objective, leading to the emergence of classical reality. However, it is not clear under what conditions this mechanism holds true. Here we prove that the emergence of classical features along the lines of quantum Darwinism is a general feature of any quantum dynamics:...

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  • The decay of quantum correlations between quantum dot spin qubits and the characteristics of its magnetic-field dependence

    Publikacja

    - EPL-EUROPHYS LETT - Rok 2014

    We address the question of the role of quantum correlations beyond entanglement in the context of quantum magnetometry. We study the evolution of the rescaled variant of the geometric quantum discord of two electron-spin qubits interacting with an environment of nuclear spins via the hyperfine interaction. We have found that quantum correlations display a strong magnetic-field sensitivity which can be utilized for decoherence-driven...

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  • The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.

    Dane Badawcze
    open access

    A chemical and mechanical pressure-induced photoluminescence tuning method was developed through structural evolution and hydrostatic pressure involving phase transition. A series of Ga1.98−xAlxO3:0.02Cr3+ phosphors were synthesized by collaborators from National Taiwan University. Structural evolution reveals a crystal phase change with the incorporation...

  • Aspects of multistation quantum information broadcasting

    We study quantum information transmission over multiparty quantum channel. In particular, we show an equivalence of different capacity notions and provide a multiletter characterization of a capacity region for a general quantum channel with k senders and m receivers. We point out natural generalizations to the case of two-way classical communication capacity. (C) 2010 Elsevier B.V. All rights reserved.

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  • Long-distance quantum communication over noisy networks without long-time quantum memory

    Publikacja
    • P. Mazurek
    • A. Grudka
    • M. Horodecki
    • P. Horodecki
    • J. Łodyga
    • Ł. Pankowski
    • A. Przysiężna

    - PHYSICAL REVIEW A - Rok 2014

    The problem of sharing entanglement over large distances is crucial for implementations of quantum cryptography. A possible scheme for long-distance entanglement sharing and quantum communication exploits networks whose nodes share Einstein-Podolsky-Rosen (EPR) pairs. In Perseguers et al. [Phys. Rev. A 78, 062324 (2008)] the authors put forward an important isomorphism between storing quantum information in a dimension D and transmission...

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  • Generic appearance of objective results in quantum measurements

    Publikacja

    - PHYSICAL REVIEW A - Rok 2017

    Measurement is of central interest in quantum mechanics as it provides the link between the quantum world and the world of everyday experience. One of the features of everyday experience is its robust, objective character, contrasting the delicate nature of quantum systems. Here we analyze in a completely model-independent way the celebrated von Neumann measurement process, using recent techniques of information flow, studied in...

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  • Applications of semi-definite optimization in quantum information protocols

    Publikacja

    - Rok 2016

    This work is concerned with the issue of applications of the semi-definite programming (SDP) in the field of quantum information sci- ence. Our results of the analysis of certain quantum information protocols using this optimization technique are presented, and an implementation of a relevant numerical tool is introduced. The key method used is NPA discovered by Navascues et al. [Phys. Rev. Lett. 98, 010401 (2007)]. In chapter...

  • Nonadditivity of quantum and classical capacities for entanglement breaking multiple-access channels and the butterfly network

    Publikacja

    - PHYSICAL REVIEW A - Rok 2010

    We analyze quantum network primitives which are entanglement breaking. We show superadditivity of quantum and classical capacity regions for quantum multiple-access channels and the quantum butterfly network. Since the effects are especially visible at high noise they suggest that quantum information effects may be particularly helpful in the case of the networks with occasional high noise rates. The present effects provide a qualitative...

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  • The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: III. Selection of X@C60 Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Trapped Neutral Atom Quantum Computing Devices

    Publikacja

    - Quantum Matter - Rok 2016

    The selection of guest atoms X of X@C60 MBBs for TBN of trapped neutral atom quantum computing devices is reported. Assuming the all-optical quantum computing as a final target stage, the two criteria are most important: the charge q accumulated on the C60 host must be as low as possible, and the atom X must have one or more available excited states within the band falling into the low energy window of neutral C60 molecule electronic...

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  • Quantum communication complexity advantage implies violation of a Bell inequality

    Publikacja

    - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2016

    We obtain a general connection between a quantum advantage in communication complexity and non-locality. We show that given any protocol offering a (sufficiently large) quantum advantage in communication complexity, there exists a way of obtaining measurement statistics which violate some Bell inequality. Our main tool is port-based teleportation. If the gap between quantum and classical communication complexity can grow arbitrarily...

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  • Unconditional privacy over channels which cannot convey quantum information

    Publikacja
    • K. Horodecki
    • M. Horodecki
    • P. Horodecki
    • D. Leung
    • J. Oppenheim

    - PHYSICAL REVIEW LETTERS - Rok 2008

    Quantum cryptography enables one to verify that the state of the quantum system has not been tampered with and thus one can obtain privacy regardless of the power of the eavesdropper. All previous protocols relied on the ability to faithfully send quantum states or equivalently to share pure entanglement. Here we show this need not be the case-one can obtain verifiable privacy even through some channels which cannot be used to...

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  • Dynamical description of quantum computing: generic nonlocality of quantumnoise

    Publikacja

    We develop a dynamical non-Markovian description of quantum computing in the weak-coupling limit, in the lowest-order approximation. We show that the long-range memory of the quantum reservoir (such as the 1/t4 one exhibited by electromagnetic vacuum) produces a strong interrelation between the structure of noise and the quantum algorithm, implying nonlocal attacks of noise. This shows that the implicit assumption of quantum error...

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  • Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory

    Publikacja
    • J. Howard
    • J. Womack
    • J. Dziedzic
    • C. Skylaris
    • B. Pritchard
    • T. Crawford

    - Journal of Chemical Theory and Computation - Rok 2017

    We present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...

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  • Quantum randomness protected against detection loophole attacks

    Publikacja
    • P. A. Mironowicz
    • G. Cañas
    • J. Cariñe
    • E. S. Gómez
    • J. F. Barra
    • A. Cabello
    • G. B. Xavier
    • G. Lima
    • M. Pawłowski

    - Quantum Information Processing - Rok 2021

    Device and semi-device-independent private quantum randomness generators are crucial for applications requiring private randomness. However, they are vulnerable to detection inefficiency attacks and this limits severely their usage for practical purposes. Here, we present a method for protecting semi-device-independent private quantum randomness generators in prepare-and-measure scenarios against detection inefficiency attacks....

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  • Quantum key distribution based on private states: Unconditional security over untrusted channels with zero quantum capacity

    Publikacja
    • K. Horodecki
    • M. Horodecki
    • P. Horodecki
    • D. Leung
    • J. Oppenheim

    - IEEE TRANSACTIONS ON INFORMATION THEORY - Rok 2008

    In this paper, we prove unconditional security for a quantum key distribution (QKD) protocol based on distilling pbits (twisted ebits) from an arbitrary untrusted state that is claimed to contain distillable key. Our main result is that we can verify security using only public communication-via parameter estimation of the given untrusted state. The technique applies even to bound-entangled states, thus extending QKD to the regime...

  • Efficient bounds on quantum-communication rates via their reduced variants

    Publikacja

    - PHYSICAL REVIEW A - Rok 2010

    We investigate one-way communication scenarios where Bob operating on his component can transfer some subsystem to the environment. We define reduced versions of quantum-communication rates and, further, prove upper bounds on a one-way quantum secret key, distillable entanglement, and quantum-channel capacity by means of their reduced versions. It is shown that in some cases they drastically improve their estimation.

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  • Tip-Based Nanofabrication as a Rapid Prototyping Tool for Quantum Science and Technology

    Publikacja

    Tip-Based Nanofabication as a Rapid Prototyping Tool for Quantum Science and Technology discusses the development of cantilevered nanotips techniques of quantum devices prototyping and how they evolved from scanning probe microscopy. Also covered are the advantages and future prospects of atomic resolution capability and how to use this enabling technology as a rapid prototyping tool for quantum science and technology.

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  • Quantum strategies for rendezvous and domination tasks on graphs with mobile agents

    Publikacja

    - PHYSICAL REVIEW A - Rok 2024

    This paper explores the application of quantum nonlocality, a renowned and unique phenomenon acknowledged as a valuable resource. Focusing on an alternative application, we demonstrate its quantum advantage for mobile agents engaged in specific distributed tasks without communication. The research addresses the significant challenge of rendezvous on graphs and introduces a distributed task for mobile agents grounded in the graph...

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  • Quantum-correlation breaking channels, broadcasting scenarios, and finite Markov chains

    Publikacja

    - PHYSICAL REVIEW A - Rok 2012

    One of the classical results concerning quantum channels is the characterization of entanglementbreakingchannels [M. Horodecki et al., Rev. Math. Phys 15, 629 (2003)]. We address the questionwhether there exists a similar characterization on the level of quantum correlations which may gobeyond entanglement. The answer is fully affirmative in the case of breaking quantum correlationsdown to the, so called, QC (Quantum-Classical)...

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  • The Ellenbogen's “Matter as Software” Concept for Quantum Computer Implementation. C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices

    Publikacja

    - Quantum Matter - Rok 2015

    The TBN bottom-up strategy of building quantum devices from C60 and X@C60 MBBs is proposed as an extension of the Ellenbogen's “Matter as Software” idea to quantum information processing. The capped SW or DW CNT STM tip is considered as device for manipulating C60 and X@C60 molecules. In this article, the possibility of using easily available on the market C60 Fullerene and endohedral X@C60 molecules together with commercial CNT...

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  • Formation of carbon monoxide by radiative association: a quantum dynamical study

    Publikacja

    - MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY - Rok 2011

    Rate coefficients for the formation of carbon monoxide (CO) by radiative association of carbon and oxygen atoms are computed using quantum dynamical simulations. At temperatures above 10 K CO radiative association is dominated by C(3P) and O(3P) approaching on the A1Π potential energy curve. The rate coefficient is estimated as k=A(T/300 K)αexp−β/T with A= 1.39 × 10−18 cm3 s−1, α=−0.016 and β= 92.2 for temperatures between 6 and...

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  • Analytical studies of spectrum broadcast structures in quantum Brownian motion

    Spectrum broadcast structures are a new and fresh concept in the quantum-to-classical transition, introduced recently in the context of decoherence and the appearance of objective features in quantum mechanics. These are specific quantum state structures, responsible for the objectivization of the decohered state of a system. Recently, they have been demonstrated by means of the well-known quantum Brownian motion model of the recoilless...

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  • Quantum-classical calculations of the nanomechanical properties of metals

    Publikacja

    - Rok 2009

    Tradycyjnie symulacje komputerowe układów w skali atomowej prowadzone są przy użyciu klasycznej metody dynamiki molekularnej (MD) bądź kwantowych metod ab initio. Główną wadą ujęcia klasycznego jest jego empiryczna natura, a co za tym idzie - niewielka przenośność, jego prostota natomiast pozwala na przeprowadzanie symulacji układów zawierających miliony atomów. W wyniku zastosowania metod kwantowych otrzymuje się bardziej wiarygodne...

  • Are quantum correlations symmetric?

    Publikacja

    - QUANTUM INFORMATION & COMPUTATION - Rok 2010

    We provide operational definition of symmetry of entanglement: An entangled state contains symmetric entanglement if its subsystems can be exchanged (swapped) by means of local operations and classical communication. We show that in general states have asymmetric entanglement. This allows to construct nonsymmetric measure of entanglement, and a parameter that reports asymmetry of entanglement contents of quantum state. We propose...

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  • Quantum privacy witness

    Publikacja

    - PHYSICAL REVIEW A - Rok 2012

    While it is usually known that the mean value of a single observable is enough to detect entanglement or its distillability, the counterpart of such an approach in the case of quantum privacy has been missing. Here we develop the concept of a privacy witness, i.e., a single observable that may detect the presence of the secure key even in the case of bound entanglement. Then we develop the notion of secret-key estimation based...

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  • A simple test for quantum channel capacity

    Publikacja

    Based on state and channel isomorphism we point out that semidefiniteprogramming can be used as a quick test for nonzero one-way quantum channelcapacity. This can be achieved by searching for symmetric extensions of statesisomorphic to a given quantum channel. With this method we provide examplesof quantum channels that can lead to high entanglement transmission but stillhave zero one-way capacity, in particular, regions of symmetric...

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  • Steering is an essential feature of non-locality in quantum theory

    Publikacja

    - Nature Communications - Rok 2018

    A physical theory is called non-local when observers can produce instantaneous effects over distant systems. Non-local theories rely on two fundamental effects: local uncertainty relations and steering of physical states at a distance. In quantum mechanics, the former one dominates the other in a well-known class of non-local games known as XOR games. In particular, optimal quantum strategies for XOR games are completely determined...

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  • The Ellenbogen’s “Matter as Software” Concept for Quantum Computer Implementation: IV. The X@C60 Molecular Building Blocks (MBBs) and Computing System Lifetime Estimation

    Publikacja

    - Quantum Matter - Rok 2016

    The problem of approximate lifetimes of individual X@C60 MBBs and tip-based nanofabricated quantum computing device systems is discussed under the conservative assumption of single-point failure. A single chemical transformation of the C60 cage into high-energy opened o-C60 isomer which forms the communication canal for the low energy transfer of an X atom from X@C60 MBB to the outside environment was studied. According to the...

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  • Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods

    Publikacja

    - Rok 2019

    The understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...

  • Quantum corrections to 4 model solutions and applications to Heisenberg chain dynamics

    The Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are valuated with account of rest d − 1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of space- time functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional...

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  • Cosmic-Time Quantum Mechanics and the Passage-of-Time Problem

    Publikacja

    - Universe - Rok 2023

    A new dynamical paradigm merging quantum dynamics with cosmology is discussed.

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  • Quantum corrections to phi^4 model solutions and applications to Heisenberg chain dynamics

    The Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are evaluated with account of rest d−1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of spacetime functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional integral...

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  • No-local-broadcasting theorem for multipartite quantum correlations

    Publikacja

    We prove that the correlations present in a multipartite quantum state have an operational quantum character even if the state is unentangled, as long as it does not simply encode a multipartite classical probability distribution. Said quantumness is revealed by the new task of local broadcasting, i.e., of locally sharing preestablished correlations, which is feasible if and only if correlations are stricly classical. Our operational...

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  • Experimental certification of an informationally complete quantum measurement in a device-independent protocol

    Publikacja

    - Optica - Rok 2020

    Minimal informationally complete positive operator-valued measures (MIC-POVMs) are special kinds of measurement in quantum theory in which the statistics of their d2-outcomes are enough to reconstruct any d-dimensional quantum state. For this reason, MIC-POVMs are referred to as standard measurements for quantum information.Here, we report an experiment with entangled photon pairs that certifies, for what we believe is the first...

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  • Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor

    Publikacja
    • M. Ibrahim
    • G. Mersal
    • A. Fallatah
    • M. Saracoglu
    • F. Kandemirli
    • S. Alharthi
    • S. Szunerits
    • R. Boukherroub
    • J. Ryl
    • M. Amin

    - JOURNAL OF MOLECULAR LIQUIDS - Rok 2020

    Two charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...

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  • Multi-criterion, evolutionary and quantum decision making in complex systems

    Publikacja

    - Rok 2011

    Multi-criterion, evolutionary and quantum decision making supported by the Adaptive Quantum-based Multi-criterion Evolutionary Algorithm (AQMEA) has been considered for distributed complex systems. AQMEA had been developed to the task assignment problem, and then it has been applied to underwater vehicle planning as another benchmark three-criterion optimization problem. For evaluation of a vehicle trajectory three criteria have...

  • Evaluation of ChatGPT Applicability to Learning Quantum Physics

    Publikacja

    - Rok 2023

    ChatGPT is an application that uses a large language model. Its purpose is to generate answers to various questions as well as provide information, help solve problems and participate in conversations on a wide range of topics. This application is also widely used by students for the purposes of learning or cheating (e.g., writing essays or programming codes). Therefore, in this contribution, we evaluate the ability of ChatGPT...

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  • Connections between Mutually Unbiased Bases and Quantum Random Access Codes

    Publikacja

    - PHYSICAL REVIEW LETTERS - Rok 2018

    We present a new quantum communication complexity protocol, the promise--Quantum Random Access Code, which allows us to introduce a new measure of unbiasedness for bases of Hilbert spaces. The proposed measure possesses a clear operational meaning and can be used to investigate whether a specific number of mutually unbiased bases exist in a given dimension by employing Semi--Definite Programming techniques.

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  • Thermodynamical approach to quantifying quantum correlations

    Publikacja

    - PHYSICAL REVIEW LETTERS - Rok 2002

    We consider the amount of work which can be extracted from a heat bath using a bipartite state ρ shared by two parties. In general it is less then the amount of work extractable when one party is in possession of the entire state. We derive bounds for this “work deficit” and calculate it explicitly for a number of different cases. In particuar, for pure states the work deficit is exactly equal to the distillable entanglement of...

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  • Grzegorz Boczkaj dr hab. inż.

  • Entangled Histories vs. the Two-State-Vector Formalism - Towards a Better Understanding of Quantum Temporal Correlations

    Publikacja

    The Two-State-Vector formalism and the Entangled Histories formalism are attempts to betterunderstand quantum correlations in time. Both formalisms share some similarities, but they are notidentical, having subtle differences in their interpretation and manipulation of quantum temporalstructures. However, the main objective of this paper is to prove that, with appropriately definedscalar products, both formalisms can be...

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  • Quantum superadditivity in linear optics networks: Sending bits via multiple-access Gaussian channels

    Publikacja

    Superadditivity effects of communication capacities are known in the case of discrete variable quantum channels. We describe the continuous variable analog of one of these effects in the framework of Gaussian multiple access channels (MACs). Classically, superadditivity-type effects are strongly restricted: For example, adding resources to one sender is never advantageous to other senders in sending their respective information...

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  • Remarkable visible-light induced hydrogen generation with ZnIn2S4 microspheres/CuInS2 quantum dots photocatalytic system

    Publikacja
    • O. Cavdar
    • A. Malankowska
    • D. Amgar
    • P. Mazierski
    • J. Łuczak
    • W. Lisowski
    • A. Zaleska-Medynska

    - INTERNATIONAL JOURNAL OF HYDROGEN ENERGY - Rok 2021

    A new and active material in the form of ZnIn2S4 microspheres decorated by CuInS2 quantum dots have been obtained by hydrothermal method for the first time. The optimum amount of CuInS2 quantum dots (1.13 wt.%) introduced into rection medium during ZnIn2S4 microspheres synthesis increased the photocatalytic H2 generation rate by 2.5 times than that of bare ZnIn2S4 photocatalysis under visible light irradiation. This sample exhibited...

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