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Search results for: APPROXIMATIVE COMPUTATION
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Numerical analysis of open channel steady gradually varied flow using the simplified saint-venant equations
PublicationFor one-dimensional open-channel flow modeling, the energy equation is usually used. There exist numerous approaches using the energy equation for open-channel flow computations, which resulted in the development of several very efficient methods for solving this problem applied to channel networks. However, the dynamic equation can be used for this purpose as well. This paper introduces a method for solving a system of non-linear...
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The Backbone Coloring Problem for Bipartite Backbones
PublicationLet G be a simple graph, H be its spanning subgraph and λ≥2 be an integer. By a λ -backbone coloring of G with backbone H we mean any function c that assigns positive integers to vertices of G in such a way that |c(u)−c(v)|≥1 for each edge uv∈E(G) and |c(u)−c(v)|≥λ for each edge uv∈E(H) . The λ -backbone chromatic number BBCλ(G,H) is the smallest integer k such that there exists a λ -backbone coloring c of G with backbone H satisfying...
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Theory of valence-band and core-level photoemission from plutonium dioxide
PublicationThe correlated-band theory implemented as a combination of the local-density approximation with the dynamical mean-field theory is applied to PuO2. An insulating electronic structure, consistent with the experimental valence-band photoemission spectra, is obtained. The calculations yield a nonmagnetic ground state that is characterized by a noninteger filling of the plutonium 5f shell. The noninteger filling as well as the satellites...
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Fast Basis Function Estimators for Identification of Nonstationary Stochastic Processes
PublicationThe problem of identification of a linear nonsta-tionary stochastic process is considered and solved using theapproach based on functional series approximation of time-varying parameter trajectories. The proposed fast basis func-tion estimators are computationally attractive and yield resultsthat are better than those provided by the local least squaresalgorithms. It is shown that two...
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Complexity Issues on of Secondary Domination Number
PublicationIn this paper we study the computational complexity issues of the problem of secondary domination (known also as (1, 2)-domination) in several graph classes. We also study the computational complexity of the problem of determining whether the domination and secondary domination numbers are equal. In particular, we study the influence of triangles and vertices of degree 1 on these numbers. Also, an optimal algorithm for finding...
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Numerical modelling of moored floating structures using SPH. Preliminary results
PublicationThis article presents partial results of the works carried out under the research project "The development of the methodof modeling the dynamics of the floating (offshore) objects subjected to the environment influence", which aims at developing computational methods for modeling the dynamics of offshore structures.The article contains the description of the method of modeling the hydrodynamic impacts using SPH method and the description...
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Direct spectrum detection based on Bayesian approach
PublicationThe paper investigates the Bayesian framework's performance for a direct detection of spectrum parameters from the compressive measurements. The reconstruction signal stage is eliminated in by the Bayesian Compressive Sensing algorithm, which causes that the computational complexity and processing time are extremely reduced. The computational efficiency of the presented procedure is significantly...
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Justyna Szostak dr inż.
PeopleI Gdańsk University of Technology: Chair of the Rector’s Internationalization Committee (October 2020 - Present) Erasmus + Coordinator for students and staff members, Faculty of Applied Physics and Mathematics (Mar 2017 - Present) Dean's Proxy for Internationalization, Faculty of Applied Physics and Mathematics (October 2020 - Present) Coordinator of the International Relations Office of the Faculty of Applied Physics and...
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FIR Filter Design Using Distributed Maximal Flatness Method
PublicationIn the paper a novel method for filter design based on the distributed maximal flatness method is presented. The proposed approach is based on the method used to design the most common FIR fractional delay filter - the maximally flat filter. The MF filter demonstrates excellent performance but only in a relatively narrow frequency range around zero frequency but its magnitude response is no greater than one. This ,,passiveness”...
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A Formal Approach to Model the Expansion of Natural Events: The Case of Infectious Diseases
PublicationA formal approach to modeling the expansion of natural events is presented in this paper. Since the mathematical, statistical or computational methods used are not relevant for development, a modular framework is carried out that guides from the external observation down to the innermost level of the variables that have to appear in the future mathematical-computational formalization. As an example we analyze the expansion of Covid-19....
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Zastosowanie komputerów w dziedzinie wyszukiwania strategii optymalnych w grach logicznych
PublicationProblem jaki stanowi wyszukiwanie strategii optymalnej w grach logicznych jest bardzo złożony. Można go podzielić na następujące podproblemy: obliczeniowy, pamięciowy oraz operacji wejścia/wyjścia. Jednak rosnąca z roku na rok siła obliczeniowa komputerów, ilość pamięci oraz prędkość transferu danych pomiędzy podzespołami zarówno lokalnymi jak i rozproszonymi, a także wzrost skuteczności wykorzystywanych technik algorytmicznych...
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On refined constitutive equations in the six-field theory of elastic shells
PublicationWithin the resultant six-field shell theory, the second approximation to the complementary energy density of an isotropic elastic shell undergoing small strains is constructed. In this case, the resultant drilling couples are expressed explicitly by the stress resultants and stress couples as well as by amplitudes of the quadratic and cubic distributions of an intrinsic deviation vector. The refined 2D strain-stress and stress-strain...
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Komentarz do art. 87 ustawy o ochronie konkurencji i konsumentów
PublicationCommentary to the provision of the Act on Protection of Competition and Consumers concerning the refusal to institute an antitrust proceeding
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Elective Project II: MOVABLE HOUSE – the home of a Modern Nomad
e-Learning CoursesAs part of the elective seminar, students working in groups of 3 people will prepare architectural and lighting concept for an international competition: "MOVABLE HOUSE – The Home of a Modern Nomad " organized by the Polish Lighting Industry Association), co-organized by Goczołowie Architekci OVO Grąbczewscy Architects and the SOMA Agency, the organizer of the International LIGHT Fair. More information here about the competition...
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Domain Reduction in Hybrid Technique for Electromagnetic Wave Scattering Problems
PublicationThis paper proposes a combination of the field matching technique, finite element method and generalized impedance matrix, the main idea of which is to reduce the computational domain by surrounding a scatterer with the smallest convex shape and applying the field matching technique. This approach can be applied for arbitrary shaped scatterers and types of materials and allows for the reduction of the computational domain. In order...
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Monika Arczyńska dr inż. arch.
PeopleArchitect and researcher with over 10 years of international experience in cultural projects. She has been working on the designs of Grand Egyptian Museum in Cairo, Palestinian Museum in East Bank, Giant’s Causeway Visitor Centre and National Centre for Contemporary Art in Moscow (with Heneghan Peng Architects). As a founder of A2P2 architecture & planning she runs architecture department of the company. In 2018 together with...
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Patryk Jasik dr inż.
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A Method for Optimising the Blade Profile in Kaplan Turbine
PublicationThis paper introduces a method of blade profile optimisation for Kaplan-type turbines, based on modelling the interaction between rotor and stator blades. Rotor and stator blade geometry is described mathematically by means of a midline curve and thickness distribution. Genetic algorithms are then used to find a global optimum that minimises the loss coefficient. This allows for variety of possible blade shapes and configurations....
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Locating and Identifying Ferromagnetic Objects
PublicationThe new non-iterative method of determining the dipole moment and location is presented in this paper. The algorithm of an object's localization and identification was achieved by using numerical calculations and approximation method. The arbitrary shapes of an object were assumed in the identification algorithm - axially symmetric spheroid (a prolate and an oblate). Several examples of localization and identification of an object's...
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Locating and Identifying Ferromagnetic Objects
PublicationThe new non-iterative method of determining the dipole moment and location is presented in this paper. The algorithm of an object's localization and identification was achieved by using numerical calculations and approximation method. The arbitrary shapes of an object were assumed in the identification algorithm - axially symmetric spheroid (a prolate and an oblate). Several examples of localization and identification of an object's...
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Response features for fast EM-driven design of miniaturized impedance matching transformers
PublicationA framework for low-cost EM-driven design optimization of compact impedance matching transformers is presented. Our technique is based on a bottom-up design where design requirements for the transformer circuit are translated into specifications for its building blocks. These elementary cells are optimized using response features. Subsequently, the entire circuit is fine-tuned using local response surface approximation models and...
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Analysis of magnetic field distribution inside ferromagnetic thin shells during degaussing process
PublicationAnalysis of the demagnetization of a large ferromagnetic object like a ship, was conducted. The approximate mathematical model in the form of a long cylindrical shell of constant magnetic permeability was applied. The discrete degaussing winding was assumed and the current density and magnetic flux density distribution in the ferromagnetic shell wall were determined. Based on the frequential and temporal analysis the recommended...
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Jan Kozicki dr hab. inż. arch.
PeopleIn year 2002 after obtaining master's degree in construction was employed on Faculty of Civil and Environmental Engineering. In 2004 obtained master's degree in architecture on Faculty of Architecture focusing on a research outpost on Mars. Defended PhD in year 2007 in the field of numerical modeling. In 2013 obtained Licentiate degree in theoretical physics on University of Gdańsk. In year 2014 obtained habilitation in technical...
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Sample Rate Conversion Based on Frequency Response Masking Filter
PublicationThe sample rate conversion with high resampling ratios requires low-pass digital filters with very narrow transition band which results in high computational complexity and makes filter design problematic. Therefore in this work we propose to use the FRM method, which breaks the filter with a narrow transition band into a group of filters with reduced design requirements. These decreases the number of non-zero coefficients and...
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Deflated Preconditioned Solvers for Parametrized Local Model Order Reduction
PublicationOne of steps in the design of microwave filters is numerical tuning using full-wave simulators. Typically, it is a time-consuming process as it uses advanced computational methods, e.g. the finite-element method (FEM) and it usually requires multiple optimization steps before the specification goals are met. FEM involves solving a large sparse system of equations at many frequency points and therefore its computational cost is...
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Implementation of discrete convolution using polynomial residue representation
PublicationConvolution is one of the main algorithms performed in the digital signal processing. The algorithm is similar to polynomial multiplication and very intensive computationally. This paper presents a new convolution algorithm based on the Polynomial Residue Number System (PRNS). The use of the PRNS allows to decompose the computation problem and thereby reduce the number of multiplications. The algorithm has been implemented in Xilinx...
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Direct detection of quantum entanglement
PublicationBasing 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.
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Elastic scattering of electrons from chloroform
PublicationWe present experimental and theoretical cross sections for elastic electron scattering from CHCl3. This is an important target because of its relevance to environmental chemistry and the plasma etching industry as a source of chlorine radicals. The experimental results were obtained at incident electron energies ranging from 0.5 to 800 eV in the 10deg-130deg scattering angle range. Theoretically, the scattering cross sections in...
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Electron-scattering cross sections for selected alkyne molecules: Measurements and calculations
PublicationWe report cross-section results from experimental and theoretical studies on electron collisions with 1-butyne (HC≡C–CH2CH3) and acetylene (HC≡CH) molecules and from computations for a propyne (HC≡C–CH3) molecule. Absolute grand -total electron-scattering cross sections (TCSs) were measured at impact energies ranging from about 0.5 to 300 eV using the linear electron-transmission method. The TCS energy curve for 1-butyne has a...
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Design of Microstrip UWB Balun Using Quasi-TEM Approach Aided by the Artificial Neural Network
PublicationThe design procedure for UWB balun realized in the microstrip technology is proposed in the paper. The procedure applies Artificial Neural Network which corrects the dimensions of the approximate design found by appropriate scaling of the dimensions of the prototype. The scale coefficients for longitudinal and transverse dimensions of microstrip lines are determined from electromagnetic modeling based on transmission line equations....
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Increased Certification of Semi-device Independent Random Numbers using Many Inputs and More Postprocessing
PublicationQuantum communication with systems of dimension larger than two provides advantages in information processing tasks. Examples include higher rates of key distribution and random number generation. The main disadvantage of using such multi-dimensional quantum systems is the increased complexity of the experimental setup. Here, we analyze a not-so-obvious problem: the relation between randomness certification and computational requirements...
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Efficient Surrogate Modeling and Design Optimization of Compact Integrated On-Chip Inductors Based on Multi-Fidelity EM Simulation Models
PublicationHigh-performance and small-size on-chip inductors play a critical role in contemporary radio-frequency integrated circuits. This work presents a reliable surrogate modeling technique combining low-fidelity EM simulation models, response surface approximations based on kriging interpolation, and space mapping technology. The reported method is useful for the development of broadband and highly accurate data-driven models of integrated...
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Colvolutional calibration of AFM probe
Open Research DataAtomic force microscopy is based on the interaction of the examined surface with a probe of a pyramidal shape, tipped with a sharp end with a radius of curvature ranging from single nanometers to hundreds of nanometers. The resolution of the obtained image is of course dependent on the above-mentioned geometric size, and the resulting image is a convolutional...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublicationThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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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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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublicationDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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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]
PublicationW 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...
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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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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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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...