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Search results for: ANALYTIC INFORMATION THEORY
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Distortion in the group of circle homeomorphisms
PublicationLet G be the group PAff+(R/Z) of piecewise affine circle homeomorphisms or the group Diff∞(R/Z) of smooth circle diffeomorphisms. A constructive proof that all irrational rotations are distorted in G is given.
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Optimal backbone coloring of split graphs with matching backbones
PublicationFor a graph G with a given subgraph H, the backbone coloring is defined as the mapping c: V(G) -> N+ such that |c(u)-c(v)| >= 2 for each edge uv \in E(H) and |c(u)-c(v)| >= 1 for each edge uv \in E(G). The backbone chromatic number BBC(G;H) is the smallest integer k such that there exists a backbone coloring with max c(V(G)) = k. In this paper, we present the algorithm for the backbone coloring of split graphs with matching backbone.
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Total outer-connected domination in trees
PublicationW pracy przedstawiono dolne ograniczenie na liczbę dominowania totalnego zewnętrznie spójnego w grafach oraz scharakteryzowano wszystkie drzewa osiągające to ograniczenie.
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Nordhaus-Gaddum results for the weakly convex domination number of a graph
PublicationArtykuł dotyczy ograniczenia z góry i z dołu (ze względu na ilość wierzchołków) sumy i iloczynu liczb dominowania wypukłego grafu i jego dopełnienia.
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TOTAL DOMINATION MULTISUBDIVISION NUMBER OF A GRAPH
PublicationThe domination multisubdivision number of a nonempty graph G was defined in [3] as the minimum positive integer k such that there exists an edge which must be subdivided k times to increase the domination number of G. Similarly we define the total domination multisubdivision number msd_t (G) of a graph G and we show that for any connected graph G of order at least two, msd_t (G) ≤ 3. We show that for trees the total domination...
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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublicationThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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On quasi-compact Markov nets
PublicationAnalizuje się strukturę ergodyczną netów Markowa. W szczególności podano charakteryzację ściśle ergodycznych minimalnych (L-R) netów markowskich na zwartej przestrzeni fazowej. Uzyskano warunki równoważne quasi-zwartości (L-R) netów Markowa, rozszerzając tzw. ergodyczne twierdzenie Lotz'a.
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MERPSYS: An environment for simulation of parallel application execution on large scale HPC systems
PublicationIn this paper we present a new environment called MERPSYS that allows simulation of parallel application execution time on cluster-based systems. The environment offers a modeling application using the Java language extended with methods representing message passing type communication routines. It also offers a graphical interface for building a system model that incorporates various hardware components such as CPUs, GPUs, interconnects...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Equitable coloring of corona multiproducts of graphs
PublicationWe give some results regarding the equitable chromatic number for l-corona product of two graphs: G and H, where G is an equitably 3- or 4-colorable graph and H is an r-partite graph, a cycle or a complete graph. Our proofs lead to polynomial algorithms for equitable coloring of such graph products provided that there is given an equitable coloring of G.
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Some variations of perfect graphs
PublicationWe consider (ψk−γk−1)-perfect graphs, i.e., graphs G for which ψk(H) =γk−1(H) for any induced subgraph H of G, where ψk and γk−1 are the k -path vertex cover number and the distance (k−1)-domination number, respectively. We study (ψk−γk−1)-perfect paths, cycles and complete graphs for k≥2. Moreover, we provide a complete characterisation of (ψ2−γ1)-perfect graphs describing the set of its forbidden induced subgraphs and providing...
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On-line P-coloring of graphs
PublicationFor a given induced hereditary property P, a P-coloring of a graph G is an assignment of one color to each vertex such that the subgraphs induced by each of the color classes have property P. We consider the effectiveness of on-line P-coloring algorithms and give the generalizations and extensions of selected results known for on-line proper coloring algorithms. We prove a linear lower bound for the performance guarantee function...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublicationBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...
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On incidence coloring of coloring of complete multipartite and semicubic bipartite graphs
PublicationIn the paper, we show that the incidence chromatic number of a complete k-partite graph is at most ∆+2 (i.e., proving the incidence coloring conjecture for these graphs) and it is equal to ∆+1 if and only if the smallest part has only one vertex.
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Interval incidence coloring of subcubic graphs
PublicationIn this paper we study the problem of interval incidence coloring of subcubic graphs. In [14] the authors proved that the interval incidence 4-coloring problem is polynomially solvable and the interval incidence 5-coloring problem is N P-complete, and they asked if χii(G) ≤ 2∆(G) holds for an arbitrary graph G. In this paper, we prove that an interval incidence 6-coloring always exists for any subcubic graph G with ∆(G) = 3.
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Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
PublicationWe describe a versatile method to enforce the rotation of subsets of atoms, e.g., a protein subunit, in molecular dynamics (MD) simulations. In particular, we introduce a “flexible axis” technique that allows realistic flexible adaptions of both the rotary subunit as well as the local rotation axis during the simulation. A variety of useful rotation potentials were implemented for the GROMACS 4.5 MD package. Application to the...
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Convex universal fixers
PublicationPraca dotyczy dominowania wypukłego w grafach pryzmowych.
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Invariant Measures for Uncountable Random Interval Homeomorphisms
PublicationA necessary and sufficient condition for the iterated function system { f (·, ω) | ω ∈ } with probability P to have exactly one invariant measure μ∗ with μ∗((0, 1)) = 1 is given. The main novelty lies in the fact that we only require the transformations f (·, ω) to be increasing homeomorphims, without any smoothness condition, nei- ther we impose conditions on the cardinality of . In particular, positive Lyapunov exponents conditions...
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Domination numbers in graphs with removed edge or set of edges
PublicationW artykule przedstawiony jest wpływ usuwania krawędzi lub zbioru krawędzi na liczby dominowania spójnego i słabo spójnego.
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Context-Aware Indexing and Retrieval for Cognitive Systems Using SOEKS and DDNA
PublicationVisual content searching, browsing and retrieval tools have been a focus area of interest as they are required by systems from many different domains. Context-based, Content-Based, and Semantic-based are different approaches utilized for indexing/retrieving, but have their drawbacks when applied to systems that aim to mimic the human capabilities. Such systems, also known as Cognitive Systems, are still limited in terms of processing...
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Bio-inspired Decisional DNA in Machinas and other Man-made Systems: The Way Forward
PublicationArtificial bio-inspired intelligent techniques and systems supporting smart, knowledge-based solutions of real world problems which are currently researched very extensively by research teams around the world, have enormous potential to enhance automation of decision making and problem solving for a number of diverse areas including design, manufacturing, Information Technology (IT), social communities of practice, and economics...
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Virtual engineering process (VEP): a knowledge representation approach for building bio-inspired distributed manufacturing DNA
PublicationThe objective of this research is to provide a user-friendly and effective way of representing engineering processes for distributed manufacturing systems so that they can develop, accumulate and share knowledge. The basic defini-tion and principle of the approach is introduced first and then the prototype version of the system is developed and demonstrated with case studies, which verify the feasibility of the proposed approach....
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Road safety performance indicators and their explanatory value: A critical view based on the experience of Central European countries
PublicationCounts of road crashes and their victims represent essential information for road safety practitioners allowing them to analyse their spatial and temporal aspects. However, they cannot provide details on the factors causing road crashes. As a result, various road safety performance indicators (RSPIs) were introduced, making it possible to gather information on the effectiveness of interventions on road safety in given areas. However,...
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Certified Reference Material - as a necessary tool for the quality control and quality assurance of measurements
PublicationReference materials are necessary to control and ensure the quality of the measurements. The demand for analytical information on the composition of different material objects makes it necessary to produce an even wider range of materials.
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ICT and social development. Conceptual considerations.
PublicationThis chapter is intended to provide basic ideas and concepts related to technology, technological progress and society. It explains how and why technology and society are interrelated, forming a dynamic, complex and interdependent evolutionary system. It introduces the terms Digital (ICT) Revolution and information and communication technologies (ICTs), showing elementary features of new technologies. The chapter explains why ICTs...
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Mercury in Living Organisms: Sources and Forms of Occurrence, Bioaccumulation, and Determination Methods
PublicationMercury (Hg) is a heavy metal with well-known and broadly tested toxicity. Since Hg pollution and its impacts on human health are of global concern, it has become necessary to develop analytical methodologies that will provide tools to obtain reliable analytical information about the levels of Hg in samples, which very often have a complex matrix composition. This chapter summarizes key information on Hg and its chemical forms,...
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Quantum-state transfer in spin chains via isolated resonance of terminal spins
PublicationWe propose a quantum-state transfer protocol in a spin chain that requires only the control of the spins at the ends of the quantum wire. The protocol is to a large extent insensitive to inhomogeneity caused by local magnetic fields and perturbation of exchange couplings. Moreover, apart from the free evolution regime, it allows one to induce an adiabatic spin transfer, which provides the possibility of performing the transfer...
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Bus bays inventory using a terrestrial laser scanning system
PublicationThis article presents the use of laser scanning technology for the assessment of bus bay geo-location. Ground laser scanning is an effective tool for collecting three-dimensional data. Moreover, the analysis of a point cloud dataset can be a source of a lot of information. The authors have outlined an innovative use of data collection and analysis using the TLS regarding information on the flatness of bus bays. The results were...
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Cybersecurity and Privacy in Standards for Smart Grids – a Comprehensive Survey
PublicationResilient information and communications technologies are a prerequisite for reliable operation of smart grid. In recent years, many standards for the new form of electricity network have been proposed, which results in operators and other smart grid stakeholders having difficulties in finding the documents which can be related to their particular problems. The purpose of this paper is to bring in all smart grid standards that...
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Robustness of contact-less optical method, used for measuring contact wire position in changeable lighting conditions
PublicationThe article presents verification of robustness of contactless method based on 2D image camera, which is used to measure catenary contact wire position in changeable ambient lighting conditions. Robustness in changeable lighting conditions is ensured through the combination of advanced image processing for background information removal and the algorithm of error correction. This algorithm detects incorrect images and substitutes...
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Szybka identyfikacja harmonicznych na podstawie oszczędnego próbkowania
PublicationW pracy przedstawiono implementację szybkiego algorytmu rekonstrukcji sygnału, opartego na teorii oszczędnego próbkowania, który może wykrywać harmoniczne w sygnale wejściowym. Zagadnienie rekonstrukcji sygnału jest problemem optymalizacyjnym rozwiązywanym za pomocą algorytmu programowania liniowego. Dodatkowo, aby przyspieszyć zbieżność rozwiązania zastosowano w rzadkiej dziedzinie sygnału filtr typu K-rank-order. Przeprowadzona...
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Waves Along Fractal Coastlines: From Fractal Arithmetic to Wave Equations
PublicationBeginning with addition and multiplication intrinsic to a Koch-type curve, we formulate and solve wave equation describing wave propagation along a fractal coastline. As opposed to examples known from the literature, we do not replace the fractal by the continuum in which it is embedded. This seems to be the first example of a truly intrinsic description of wave propagation along a fractal curve. The theory is relativistically...
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On the Bending of Multilayered Plates Considering Surface Viscoelasticity
PublicationWe discuss the bending resistance of multilayered plates taking into account surface/interfacial viscoelasticity. Within the linear surface viscoelasticity we introduce the surface/interfacial stresses linearly dependent on the history of surface strains. In order to underline the surface viscoelasticity contribution to the bending response we restrict ourselves to the elastic behaviour in the bulk. Using the correspondence principle...
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Reply to Maarit Johnson's Letter to the Editor
PublicationWe wrote in response to the Letter to the Editor from Maarit Johnson regarding our article “Exploring the factor structure and the validity of the abbreviated Basic and Earning self-esteem Scales” (Dåderman & Basinska, 2013). We discussed two main issues: (a) the theory underlying the development of the longer (i.e., original) versions of the Basic and Earning SES, as well as the role of earning SE; and (b) the selection of items...
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A study on transverse shear correction for laminated sandwich panels
PublicationThe paper presents a study on an application of the First Order Shear Deformation Theory in a linear static analysis of elastic sandwich panels. A special attention has been given to the issue of the transverse shear correction. Two benchmark examples of sandwich plate problems with known reference solutions have been selected for a comparative analysis performed with own Finite Element codes. Interesting results allowed for drawing...
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Mechanical analysis of eccentric defected bilayer graphene sheets considering the van der Waals force
PublicationIn this article, we have tried to simulate nonlinear bending analysis of a double-layered graphene sheet which contains a geometrical imperfection based on an eccentric hole. The first-order shear deformation theory is considered to obtain the governing equations. Also, the nonlinear von Kármán strain field has been assumed in order to obtain large deformations. Whereas the double-layered graphene sheet has been considered, the...
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WORK MOTIVATION PROFILES AND WORK PERFORMANCE IN A GROUP OF CORPORATE EMPLOYEES: A TWO-STEP CLUSTER ANALYSIS
PublicationFew studies have applied a person-centered approach to work motivation using cluster or profile analyses. Thus, little is known about which configurations of work motivations characterize professionals. The aim of this study is to establish the structure of work motivation profiles under the framework of self-determination theory and to examine the relationship between work motivation and subjective work performance. The study...
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Cognitive motivations and foundations for building intelligent decision-making systems
PublicationConcepts based on psychology fit well with current research trends related to robotics and artificial intelligence. Biology-inspired cognitive architectures are extremely useful in building agents and robots, and this is one of the most important challenges of modern science. Therefore, the widely viewed and far-reaching goal of systems research and engineering is virtual agents and autonomous robots that mimic human behavior in...
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Robust four-node elements based on Hu–Washizu principle for nonlinear analysis of Cosserat shells
PublicationMixed 4-node shell elements with the drilling rotation and Cosserat-type strain measures based onthe three-field Hu–Washizu principle are proposed. In the formulation, apart from displacement and rotationfields, both strain and stress resultant fields are treated as independent. The elements are derived in the frame-work of a general nonlinear 6-parameter shell theory dedicated to the analysis of multifold irregular shells.The...
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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublicationIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
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Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes
PublicationElectric field-modulated photoluminescence (EML) measurements are presented for vacuum-evaporated films of cyclometallated Pt (II) complexes of 1,3-di(2-pyridyl) benzenes used as triplet emitters in organic light-emitting diodes (OLEDs). The excimer phosphorescence is quenched by the external electric field of 2.5 MV/cm up to 25% but the same effect on monomer phosphorescence is one order of magnitude smaller. The higher quenching...
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Processing data on sea bottom structure obtained by means of the parametric sounding
PublicationThe aim of the paper is to analyze data obtain during sounding of the Gdansk Bay by means of the parametric sonar. The accuracy of the sea bottom structure investigation needs the correct configuration of research equipment and the proper calibration of peripheral devices (GPS, heading sensor, motion sensor MRU-Z and navigation units) which provide necessary data to bathymetrical measurement system enabling its work with whole...
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The Development of a Conceptual Framework for Knowledge Sharing in Agile IT Projects
PublicationOrganizations must adapt their resources to meet the challenges associated with changes in the work environment in order to remain competitive in the information era. Several research findings identify knowledge sharing as a means for an organization to improve its competitiveness. Knowledge sharing can be defined in a variety of ways, but it essentially refers to the exchange of knowledge from an information giver to an information...
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Processing data on sea bottom structure obtained by means of the parametric sounding
PublicationThe aim of the paper is to analyze data obtained during sounding the Gdansk Bay sea bed by means of the parametric echo-sounder. The accuracy of the sea bottom structure investigation needs correct configuration of research equipment and proper calibration of peripheral devices (GPS, heading sensor, MRU-Z motion sensor and navigation instruments which provide necessary data to bathymetrical measurement system, enabling its work...
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Climate Change Impacts on Environmental and Human Exposure to Mercury in the Arctic
PublicationThis paper reviews information from the literature and the EU ArcRisk project to assess whether climate change results in an increase or decrease in exposure to mercury (Hg) in the Arctic, and if this in turn will impact the risks related to its harmful effects. It presents the state-of-the art of knowledge on atmospheric mercury emissions from anthropogenic sources worldwide, the long-range transport to the Arctic, and it discusses...
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VISUALIZATION OF SCANTER AND ARPA RADAR DATA IN THE DISTRIBUTED TELEINFORMATION SYSTEM FOR THE BORDER GUARD
PublicationMonitoring of country maritime border is an important task of the Border Guard. This activity can be enhanced with the use of the technology enabling gathering information from distributed sources, processing of that information and its visualization. The paper presents the next stage of development of the STRADAR project (Streaming of real-time data transmission in distributed dispatching and teleinformation systems of the Border...
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Evaluation of the structures size in the liquid-gas flow by gamma-ray absorption
PublicationThe rapid development of tomography methods particularly electrical, X and gamma rays allows for a wide range of the information about flow structure. However, all of such methods are quite complicated. At the same time much simpler systems as the measuring system of gamma rays absorption, allows to obtain a all key flow information which describe the two-phase flow. In the article the results of analyzes of radiometric signal...
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Application of Web-GIS and Geovisual Analytics to Monitoring of Seabed Evolution in South Baltic Sea Coastal Areas
PublicationRegular surveys of coastal zone seabed deliver important information about geomorphologic processes such as silting of waterways. The recent introduction of the Sentinel series of sensors has allowed for the use of satellite sensing for shallow bathymetry morphology monitoring. In this context, this article presents a dedicated Geographic Information System for Baltic Sea shallow water depth monitoring on the basis of Sentinel-2...
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Blurred quantum Darwinism across quantum reference frames
PublicationQuantum Darwinism describes objectivity of quantum systems via their correlations with their environment--information that hypothetical observers can recover by measuring the environments. However, observations are done with respect to a frame of reference. Here, we take the formalism of [Giacomini, Castro-Ruiz, & Brukner. Nat Commun 10, 494 (2019)], and consider the repercussions on objectivity when changing quantum reference...