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- Publikacje 716 wyników po odfiltrowaniu
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- Dane Badawcze 85 wyników po odfiltrowaniu
Wyniki wyszukiwania dla: TOLERANT QUANTUM COMPUTATION
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The finite-difference simulation of x-rays propagation through a system of lenses
PublikacjaThe propagation of X-ray waves through an optical system consisting of 33 aluminum X-ray refractive lenses is considered. For solving the problem, a finite-difference method is suggested and investigated. It is shown that very small steps of the difference grid are necessary for reliable computation of propagation of X-ray waves through the system of lenses. It is shown that the wave phase is a function very quickly increasing...
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Thermodynamic analysis of the double Brayton cycle with the use of oxy combustion and capture of CO2
PublikacjaIn this paper, thermodynamic analysis of a proposed innovative double Brayton cycle with the use of oxy combustion and capture of CO2, is presented. For that purpose, the computation flow mechanics (CFM) approach has been developed. The double Brayton cycle (DBC) consists of primary Brayton and secondary inverse Brayton cycle. Inversion means that the role of the compressor and the gas turbine is changed and firstly we have expansion...
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Online urban acoustic noise monitoring system
PublikacjaConcepts and implementation of the Online Urban Noise Monitoring System are presented. Principles of proposed solution used for dynamic acoustical maps creating are discussed. The architecture of the system and the data acquisition scheme are described. The concept of noise mapping, based on noise source model and propagation simulations, was developed and employed in the system. Dynamic estimation of noise source parameters utilized...
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Piotr Skurski prof. dr hab.
OsobyPiotr Stanisław Skurski (ur. 25 sierpnia 1969 w Gdańsku) – polski chemik specjalizujący się w chemii kwantowej i fizycznej, profesor nauk chemicznych, profesor zwyczajny Wydziału Chemii Uniwersytetu Gdańskiego, kierownik Katedry Chemii Teoretycznej i Pracowni Chemii Kwantowej na tym wydziale, a także Professor of Chemistry w Henry Eyring Center for Theoretical Chemistry na Uniwersytecie Utah w Stanach Zjednoczonych. W latach 2011-2016 członek...
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Unraveling the role of boron dimers in the electrical anisotropy and superconductivity in boron-doped diamond
PublikacjaWe use quantum mechanics (QM) to determine the states formed by B dopants in diamond. We find that isolated B sites prefer to form BB dimers and that the dimers pair up to form tetramers (BBCBB) that prefer to aggregate parallel to the (111) surface in the <110> direction, one double layer below the H-terminated surface double layer. These tetramers lead to metallic character (Mott metal Insulator Transition) with holes in the...
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Experimental Extraction of Secure Correlations from a Noisy Private State
PublikacjaWe report experimental generation of a noisy entangled four-photon state that exhibits a separation between the secure key contents and distillable entanglement, a hallmark feature of the recently established quantum theory of private states. The privacy analysis, based on the full tomographic reconstruction of the prepared state, is utilized in a proof-of-principle key generation. The inferiority of distillation-based strategies...
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DFT studies of the refractive index of boron-doped diamond
PublikacjaThe density functional theory is one of the optimal solutions in calculation of optical properties of materials on the quantum scale. In this paper, we have investigated the refractive index of a boron-doped diamond structure with the usage of Atomistic Toolkit software from Synopsys. During this study, various methods and pseudopotentials were checked to obtain an optimal performanceaccuracy method for calculation of such materials....
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Crystallization of space: Space-time fractals from fractal arithmetic
PublikacjaFractals such as the Cantor set can be equipped with intrinsic arithmetic operations (addition, subtraction, multiplication, division) that map the fractal into itself. The arithmetics allows one to define calculus and algebra intrinsic to the fractal in question, and one can formulate classical and quantum physics within the fractal set. In particular, fractals in space-time can be generated by means of homogeneous spaces associated...
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Dane BadawczeA 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...
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The luminescence study of Ga2–x(Al0.68In0.32)xO3:Cr3+ coumpounds.
Dane BadawczeNear-infrared (NIR) phosphor-converted light-emitting diodes (pc-LEDs) are a highly efficient perspective NIR light source, with application hindered by a narrow emission band. In this work, we broaden the emission of a new series of NIR phosphors by controlling crystal structure disorder through cation cosubstitution. By substituting Ga3+ with (Al0.68In0.32)3+,...
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The luminescence study ofNaK2Li[Li3SiO4]4:Ce coumpounds.
Dane BadawczePhosphors with a rigid and symmetrical structure are urgently needed. The alkali lithosilicate family (A[Li3SiO4]) has been extensively studied with a narrow emission band due to its unique cuboid-coordinated environment and rigid structure. However, here we demonstrate for the first time Ce-doped NaK2Li[Li3SiO4]4 phosphors with a broad emission band,...
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Construction of phylogenetic trees with topological constraints
PublikacjaThis paper proposes a method of reconstruction of phylogenetic trees based on heuristic search with topological constraints. Using topological constraints it is possible to reduce the set of solutions as well as to enforce that the result is consistent with a given hypothesis about the evolution process within some group of species. Along with this work a number of algorithms used for phylogenetic analysis were implemented. Those...
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Accuracy of Differential Phase Delay Estimation for GPS Spoofing Detection
PublikacjaGPS spoofing is an attack based on transmission of false signals to target receivers, in order to force the computation of incorrect time, position or velocity information. It is a threat which is recently considered with continuously growing awareness. There is a need for effective way of GPS spoofing detection. Many groups of methods are proposed in the literature. Spatial processing methods are considered to be robust in a wide...
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Fast Full-Wave Multilevel Zero-Pole Optimization of Microwave Filters
PublikacjaA new concept is proposed for the full-wave computer-aided design of microwave filters. The method consists of two stages and operates on the zeros and poles of the transfer function and their derivatives. These quantities are evaluated from the response computed by a full-wave electromagnetic solver with two levels of accuracy. The two stages make use of different models that are optimized using a low-accuracy electromagnetic...
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Efficiency of gas detection algorithms using fluctuation enhanced sensing
PublikacjaEfficiency of various gas detection algorithms by applying fluctuation enhanced sensing method was discussed. We have analyzed resistance noise observed in resistive WO3- nanowires gas sensing layers. Power spectral densities of the recorded noise were used as the input data vectors for two algorithms: the principal component analysis (PCA) and the support vector machine (SVM). The data were used to determine gas concentration...
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Experimental generation of complex noisy photonic entanglement
PublikacjaWe present an experimental scheme based on spontaneous parametric down-conversion to produce multiple-photon pairs in maximally entangled polarization states using an arrangement of two type-I nonlinear crystals. By introducing correlated polarization noise in the paths of the generated photons we prepare mixed-entangled states whose properties illustrate fundamental results obtained recently in quantum information theory, in particular those...
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Absolute configurations of C34 and C35 of antibiotic niphimycin A
PublikacjaThe relative configurations of four stereogenic centers of the C33-C42 fragment of niphimycin A were assigned as 2S*, 3R*, 4S* and 6S*, based upon (1)H NMR analysis with double-quantum filtered COSY and nuclear Overhauser spectroscopy experiments. These data were then correlated with absolute configurations at C36 and C38 of niphimycin A, which were declared previously as 36S and 38S [3]. This allowed for the assignment of the...
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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublikacjaNystatin A1, a polyene macrolide antifungal antibiotic, in a slightly basic or acidic solution undergoes an intramolecular transformation, yielding a structural isomer, the translactonization product, iso-nystatin A1 with lactone ring diminished by two carbon atoms. Structural evidence is provided by advanced NMR and Mass Spectrometry (MS) studies. Molecular dynamics simulations and quantum mechanics calculations gave the insight...
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Absolute configurations of C34 and C35 of antibiotic niphimycin A
PublikacjaThe relative configurations of four stereogenic centers of the C33-C42 fragment of niphimycin A were assigned as 2S*, 3R*, 4S* and 6S*, based upon 1H NMR analysis with double-quantum filtered COSY and nuclear Overhauser spectroscopy experiments. These data were then correlated with absolute configurations at C36 and C38 of niphimycin A, which were declared previously as 36S and 38S [3]. This allowed for the assignment of the absolute...
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Fast Real-Time RDFT- and GDFT-Based Direct Fault Diagnosis of Induction Motor Drive
PublikacjaThis paper presents the theoretical analysis and experimental verification of a direct fault harmonic identification approach in a converter-fed electric drive for automated diagnosis purposes. On the basis of the analytical model of the proposed real-time direct fault diagnosis, the fault-related harmonic component is calculated using recursive DFT (RDFT) and Goertzel DFT (GDFT), applied instead of the full spectrum calculations...
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Broadband communication solutions for maritime ITSs: Wider and faster deployment of new e-navigation services
Publikacjan its initial part, the paper presents an overview of popular technologies and systems currently developed or employed in maritime communication. These solutions are used to provide both ship-to-ship and ship-to-shore communication for the purpose of supporting specific services, often dedicated to maritime safety and e-navigation. Utility of such communication systems have been thoroughly verified over the years and their strengths...
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Expression of a GDSL esterase from Pseudomonas sp. S9 in Pichiapastoris
PublikacjaCold active lipolytic enzymes are promising to replace the conventional enzymes processes of biotechnological industries. One of the most important feature of the cold-active lipases and esterases is that they offer economic benefits through energy saving. In general, they exhibit high activity at low temperatures and low thermostability at moderate temperatures. Lipolytic enzyme EstS9 was isolated from Pseudomonas sp. S9. A multiple...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublikacjaWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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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
PublikacjaTwo 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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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublikacjaCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublikacjaCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublikacjaCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
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On coertia and inertia in aspects of Natanson’s nonlinear extended thermodynamics
PublikacjaIn this article, the previously underrepresented contributions of Natanson to the field of thermodynamics have been presented. In order to identify a source of irreversibility at Nature, Natanson introduced the concept of Coertia, which is similar to inertia. Natanson’s Coertia is a fundamental property of space that is responsible for every irreversible phenomena in matter, as well as in the electromagnetic and gravitational fields....
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Factory Acceptance Test – Strain Gauge Measurement, Report no: WOiO /II/123/2014
PublikacjaTested object was 40 meters long jib and its foundation, placed in Gdansk Shiprepair Yard, manufactured by KMK. The contruction was dedicated to the passenger cruise vessel "Quantum of the Seas" The Strain Gauge measurement in different location and load situation was done in order to validate calculation finite element models used during strength analysis for project. The expertise contains: methodology of the measurements, description...
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OPTIMIZATION OF THE LAST STAGE OF GAS-STEAM TURBINE USING A HYBRID METHOD
PublikacjaThis paper relates to the CFD calculation of a new turbine type which is in the phase of theoretical analysis, because the working fluid is a mixture of steam and gas generated in wet combustion chamber. At first, this article concentrates on a possibility of streamlining the flow efficiency of a last stage of axial turbine working on gas-steam mixture using a hybrid of the particle swarm optimization algorithm with the Nelder-Mead...
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Performance Models of a Multidomain IMS/NGN Service Stratum
PublikacjaThis paper quantifies call processing performance (CPP) of a multidomain IMS/NGN architecture, which was proposed to deliver current and future telecommunication services with strict quality requirements, independently of the transport network technologies. A realistic simulation model is used as a reference for evaluation of the analytical results, in which vari-ous types of queuing systems are applied to model the opera-tion...
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Automated Reduced Model Order Selection
PublikacjaThis letter proposes to automate generation of reduced-order models used for accelerated -parameter computation by applying a posteriori model error estimators. So far,a posteriori error estimators were used in Reduced Basis Method (RBM) and Proper Orthogonal Decomposition (POD) to select frequency points at which basis vectors are generated. This letter shows how a posteriori error estimators can be applied to automatically select...
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Accuracy Analysis of Determination the Vertical Displacements in Unstable Reference System
PublikacjaMeasurements of horizontal and vertical displacements are carried out mostly based on reference points identified as fixed. In surveying practice there may be some situations in which there is not possible to perform the measurements with reference to stable points or the difficulties in identification of points’ stability may arise. Accuracy analysis based on the covariance matrices have a special role in this process. In presented...
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A subdomain model for armature reaction field and open‐circuit field prediction in consequent pole permanent magnet machines
PublikacjaIn this paper, the machine quantity, such as electromagnetic torque, self and mutual inductances, and electromotive force, is analytically calculated for non-overlapping winding consequent pole slotted machine for open-circuit field and armature reaction. The sub-domain approach of (2-D) analytical model is developed using Maxwell's equations and divide the problem into slots, slot-openings, airgap and magnets region, the magnet...
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Strahlungslose Übertragung von Elektronenanregungsenergie bei zweidimensionalen lumineszierenden Systemen
PublikacjaAn expression for the photoluminescence (PhL) quantum yield of donors in two-dimensional systems as depending on the concentration ratio nD'/nA' of donors and acceptors has been obtained. In the particular case nD' ⪡ nA' the expression reduces to the form given by other authors. The obtained formula can also be applied to the description of the concentrational quenching of PhL when dimers act as acceptors. The theory has been...
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Multipartite secret key distillation and bound entanglement
PublikacjaRecently it has been shown that quantum cryptography beyond pure entanglement distillation is possible and a paradigm for the associated protocols has been established. Here we systematically generalize the whole paradigm to the multipartite scenario. We provide constructions of new classes of multipartite bound entangled states, i.e., those with underlying twisted Greenberger-Horne-Zeilinger (GHZ) structure and nonzero distillable...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublikacjaBrominated 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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Workflow applications in GridLab and PROGRESS projects
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Flexibility and user‐friendliness of Grid portals: the PROGRESS approach
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Plugging grids into computing portals: the PROGRESS grid resource broker plug‐in mechanism
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field
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Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
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Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field
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Improvement of the Treatment of Loop Structures in the UNRES Force Field by Inclusion of Coupling between Backbone- and Side-Chain-Local Conformational States
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Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics
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Simulation of the Opening and Closing of Hsp70 Chaperones by Coarse-Grained Molecular Dynamics
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Replica Exchange and Multicanonical Algorithms with the Coarse-Grained United-Residue (UNRES) Force Field
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Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins
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High quality speech coding using combined parametric and perceptual modules. [Kodowanie sygnału mowy z zachowaniem wysokiej jakości przy wykorzystaniu modułu parametrycznego i perceptualnego]
PublikacjaW komunikacie zaprezentowano nową metodę hybrydowego kodowania sygnału mowy. Techniki kodowania parametrycznego oraz perceptualnego zostały wykorzystane w celu zapewnienia wysokiej jakości kodowania sygnału mowy. Przedstawiono wyniki badań dla dwóch architektur kodeka. Jedna z nich bazuje na algorytmie pozwalajacym wyodrębnić składowe dźwięczne, bezdźwięczne oraz transjenty. Składowe dźwięczne kodowane są metodą perceptualną, bezdźwięczne...