Search results for: COMPUTATIONAL SYSTEMS
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JOURNAL OF COMPUTATIONAL MATHEMATICS
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Applied and Computational Mathematics
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Journal of Computational Technologies
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Theoretical and Computational Chemistry
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Nature Computational Science
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Journal of Computational Geometry
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Waveform relaxation methods for periodic differential-functional systems.
PublicationPrzedmiotem badań były układy różniczkowo-funkcyjne z warunkiem okresowym.Prawą stronę układu z argumentem funkcyjnym przedstawiono w nowej formie wygodnej do stosowania metody relaksacyjnej ''waveform''. Podano warunki dostateczne (dyskutowano dwa typy takich warunków) przy których wyjściowy problem ma rozwiązanie i odpowiednie ciągi relaksacyjne są do niego zbieżne. Dyskutowano w szczegółach przedstawiony problem numeryczny...
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Multi-Objective Water Distribution Systems Control of Pumping Cost, Water Quality, and Storage-Reliability Constraints
PublicationThis work describes a multi-objective model for trading-off pumping cost and water quality for water distribution systems operation. Constraints are imposed on flows and pressures, on periodical tanks operation, and on tanks storage. The methodology links the multi-objective SPEA2 algorithm with EPANET, and is applied on two example applications of increasing complexity, under extended period simulation conditions and variable...
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Discovering Rule-Based Learning Systems for the Purpose of Music Analysis
PublicationMusic analysis and processing aims at understanding information retrieved from music (Music Information Retrieval). For the purpose of music data mining, machine learning (ML) methods or statistical approach are employed. Their primary task is recognition of musical instrument sounds, music genre or emotion contained in music, identification of audio, assessment of audio content, etc. In terms of computational approach, music databases...
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Adolfo Poma
PeopleI am the group leader of the computational modelling of biomolecules divison at the institute of Fundamental Technological Research Polish Academy of Sciences in Poland. My group was hosted between 2021-2022 by International Centre for Research on Innovative Bio-based Materials (ICRI-BioM). In 2008, I got a Master degree in computational physics from the State University of Campinas, Brazil. Then I moved to Germany and under the...
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Rapid communication: Computational simulation and analysis of a candidate for the design of a novel silk-based biopolymer
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Theoretical and computational analysis of nonlinear fractional integro-differential equations via collocation method
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Computational investigations of acoustic radiation from end shields of small-power electric motor
PublicationW artykule omówiono rozwój metod modelowania własności akustycznych maszyn elektrycznych. Wskazano na pomijalny dotąd, znaczący udział drgań tarcz łożyskowych w emitowaniu hałasu przez silniki małej mocy. Na podstawie równania falowego potencjału prędkości wyprowadzono analityczne formuły do obliczeń akustycznych w polu bliskim tarczy łożyskowej. Zamieszczono uzyskane z serii obliczeń dla pracującego silnika, rozkłady ciśnienia...
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Synthesis, Pharmacological Evaluation, and Computational Studies of Cyclic Opioid Peptidomimetics Containing β3-Lysine
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Computational examination of Jeffrey nanofluid through a stretchable surface employing Tiwari and Das model
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Introducing a Computational Method to Retrofit Damaged Buildings under Seismic Mainshock-Aftershock Sequence
PublicationRetrofitting damaged buildings is a challenge for engineers, since commercial software does not have the ability to consider the local damages and deformed shape of a building resulting from the mainshock record of an earthquake before applying the aftershock record. In this research, a computational method for retrofitting of damaged buildings under seismic mainshock-aftershock sequences is proposed, and proposed computational...
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Computational modeling of molecularly imprinted polymers as a green approach to the development of novel analytical sorbents
PublicationThe development of novel molecularly imprinted polymers (MIP) sorbents for specific chemical compounds require a lot of tedious and time-consuming laboratory work. Significant quantities of solvents and reagents are consumed in the course of the verification of appropriate configurations of polymerization reagents. Implementation of molecular modeling in the MIP sorbent development process appears to provide a solution to this...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublicationDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Design and computational fluid dynamics analysis of the last stage of innovative gas-steam turbine
PublicationResearch regarding blade design and analysis of flow has been attracting interest for over a century. Meanwhile new concepts and design approaches were created and improved. Advancements in information technologies allowed to introduce computational fluid dynamics and computational flow mechanics. Currently a combination of mentioned methods is used for the design of turbine blades. These methods enabled us to improve flow efficiency...
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Tuning a Hybrid GPU-CPU V-Cycle Multilevel Preconditioner for Solving Large Real and Complex Systems of FEM Equations
PublicationThis letter presents techniques for tuning an accelerated preconditioned conjugate gradient solver with a multilevel preconditioner. The solver is optimized for a fast solution of sparse systems of equations arising in computational electromagnetics in a finite element method using higher-order elements. The goal of the tuning is to increase the throughput while at the same time reducing the memory requirements in order to allow...
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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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Symbolic multibody models for digital-twin applications
PublicationSymbolic generation of multibody systems equations of motion appeared in the 1980s. In addition to their computational advantage over their numerical counterparts, symbolic models can be very easily and straightforwardly interfaced with a wide range of software environments and hardware devices. These two features place this approach in a pole position to participate and intervene in the design of digital twins for systems such...
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Ontology of the Design Pattern Language for Smart Cities Systems
PublicationThe paper presents the definition of the design pattern language of Smart Cities in the form of an ontology. Since the implementation of a Smart City system is difficult, expensive and closely linked with the problems concerning a given city, the knowledge acquired during a single implementation is extremely valuable. The language we defined supports the management of such knowledge as it allows for the expression of a solution...
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Optimization of hybrid parallel application execution in heterogeneous high performance computing systems considering execution time and power consumption
PublicationMany important computational problems require utilization of high performance computing (HPC) systems that consist of multi-level structures combining higher and higher numbers of devices with various characteristics. Utilizing full power of such systems requires programming parallel applications that are hybrid in two meanings: they can utilize parallelism on multiple levels at the same time and combine together programming interfaces...
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Virtual inertia in Electric Power System
PublicationThe article presents the idea of introducing virtual inertia system to the electric power systems. The virtual inertia aim is to reduce or eliminate the effect of reducing the inertia of the power system as a result of replacing classic electricity generating units with renewable renergy sources (RES). The considerations are ilustrated by a computational example.
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The TEMPUS PROGRAM - Computational Geometry for Ships i.e. our first step towards the European Union.
PublicationPraca prezentuje genezę, zakres merytoryczny i realizację europejskiego programu TEMPUS pt. "Geometria Komputerowa dla Statków" zorganizowanego i przeprowadzonego na Wydz. OiO PG w latach 1993-95. Projekt miał charakter dydaktyczny i oferował zaawansowany kurs nowoczesnej metodologii modelowania geometrycznego i analizy hydrodynamicznej kształtu kadłuba okrętu dla studentów wydziału i młodych inżynierów polskiego przemysłu okrętowego....
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Computational Simulation of the Effects of Different Culture Types and Leader Qualities on Mistake Handling and Organisational Learning
PublicationThis chapter investigates computationally the following research hypotheses: (1) Higher flexibility and discretion in organisational culture results in better mistake management and thus better organisational learning, (2) Effective organisational learning requires a transformational leader to have both high social and formal status and consistency, and (3) Company culture and leader’s behavior must align for the best learning...
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Computational Complexity and Its Influence on Predictive Capabilities of Machine Learning Models for Concrete Mix Design
PublicationThe design of concrete mixtures is crucial in concrete technology, aiming to produce concrete that meets specific quality and performance criteria. Modern standards require not only strength but also eco-friendliness and production efficiency. Based on the Three Equation Method, conventional mix design methods involve analytical and laboratory procedures but are insufficient for contemporary concrete technology, leading to overengineering...
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Structural, spectroscopic, and computational characterization of the cleavage product of dimolybdenum(II) core under aerobic conditions
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Combining Computational Fluid Dynamics with a Biokinetic Model for Predicting Ammonia and Phosphate Behavior in Aeration Tanks
PublicationThe aim of this study was to use computational fluid dynamics for predicting the behavior of reactive pollutants (ammonia and phosphate) in the aerobic zone of the bioreactor located at the Wschod wastewater treatment plant in Gdansk, Poland. The one-dimensional advection-dispersion equation was combined with simple biokinetic models incorporating the Monod-type expressions as source terms for the two pollutants. The problem was...
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Analysis of muscles behaviour. Part II. The computational model of muscles group acting on the elbow joint
PublicationThe purpose of this paper is to present the computational model of muscles' group describing the movements of flexion/extension at the elbow joint in the sagittal plane of the body when the forearm is being kept in the fixed state of supination/pronation. The method ofevaluating the muscle forces is discussed in detail. This method is the basis for the quantitative and qualitative verification of the proposed computational model...
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Computational simulation of motion of a rescue module during its launching from ship at rough sea
PublicationThis paper is a continuation of the work titled : “A comp utational model for simulation of motion of rescue module during its launching from stern ramp of a ship at rough sea”. It presents results of computer simulations of motion of a rescue module with embarked persons during its launching on rollers along stern ramp of a ship at rough sea. The simulations were conducted for a selected ship fitted with a launching ramp , for...
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Computational complexity and length of recorded data for fluctuation enhanced sensing method in resistive gas sensors
PublicationThis paper considers complexity and accuracy of data processing for gas detection using resistance fluctuation data observed in resistance gas sensors. A few selected methods were considered (Principal Component Analysis – PCA, Support Vector Machine – SVM). Functions like power spectral density or histogram were used to create input data vector for these algorithms from the observed resistance fluctuations. The presented considerations...
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Computational model for simulation of lifeboat motions during its launching from ship in rough seas
PublicationW artykule przedstawiono model obliczeniowy 3 D, opisujący ruch obiektu w 6 stopniach swobody (6DoF), do symulacji ruchu jedno- lub dwuzawiesiowej łodzi ratunkowej lub ratowniczej podczas opuszczania ze statku na wzburzonej wodzie. Jest to złożony model uwzględniający warunki morskie oraz elastyczność i własności tłumiące elementów i mechanizmów żurawika, liny oraz kadłuba łodzi. Ponadto przedstawiono przykładowe wyniki obliczeń...
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A Computational Analysis of the Aerodynamic and Aeromechanical Behavior of a Thermo-Well for Steam Temperature Measurement in a Steam Turbine
PublicationThe goal of the paper is twofold: firstly, it presents computational fluid dynamics analysis for finding maximum unsteady flow forces (and their frequencies) acting on a thermo-well for measuring steam temperature in a steam turbine control stage and secondly, it presents computational solid dynamics analysis of possibility of entry into resonance of the thermowell structure. There have been analyzed two cases of flow with changing...
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Unraveling the Interplay between DNA and Proteins: A Computational Exploration of Sequence and Structure-Specific Recognition Mechanisms
PublicationMy PhD dissertation focused on DNA-protein interactions and the recognition of specific DNA sequences and structures. I discovered that acidic amino acid residues (Asp/Glu) play a crucial role by exhibiting a preference for cytosine. Their contribution to binding affinity depends on nearby cytosines, balancing electrostatic repulsion with specific interactions. Acidic residues act as negative selectors, discouraging non-cytosine...
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Adaptive Dynamical Systems Modelling of Transformational Organizational Change with Focus on Organizational Culture and Organizational Learning
PublicationTransformative Organizational Change becomes more and more significant both practically and academically, especially in the context of organizational culture and learning. However computational modeling and a formalization of organizational change and learning processes are still largely unexplored. This paper aims to provide an adaptive network model of transformative organizational change and translate a selection of organizational...
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Adaptive Dynamical Systems Modelling of Transformational Organizational Change: with Focus on Organizational Culture and Organizational Learning
PublicationTransformative Organizational Change becomes more and more significant both practically and academically, especially in the context of organizational culture and learning. However computational modeling and a formalization of organizational change and learning processes are still largely unexplored. This paper aims to provide an adaptive network model of transformative organizational change and translate a selection of organizational...
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High-Level Model for the Design of KPIs for Smart Cities Systems
PublicationThe main goal of the paper is to build a high-level model for the design of KPIs. Currently, the development and processes of cities have been checked by KPI indicators. The authors realized that there is a limited usability of KPIs for both the users and IT specialists who are preparing them. Another observation was that the process of the implementation of Smart Cities systems is very complicated. Due to this the concept of a...
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Imidazolium silanethiolates relevant to the active site of cysteineproteases. A cooperative effect in a chain of NH(+)...S(-) hydrogenbonds
PublicationThree imidazolium silanethiolates relevant to the active site of cysteine proteases have been synthesized and investigated by X-ray diffraction, IR spectroscopy and computational methods. As indicated by crystallographic and FT-IR data in the solid state, the transfer of proton from thiol to imidazole takes place and a thiolato-imidazolium ion pair is formed. The FT-IR spectra of crystalline imidazolium silanethiolates exhibit...
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Michał Małafiejski dr hab. inż.
PeopleMichał Małafiejski was born in 1975. He received the M.Sc. in computer science (in 1999). He received the Ph.D. in computer science in 2002 and habilitation in the same area in 2014. He works as associate professor in Department of Algorithms and Modelling of Systems. He is the author or coauthor of many papers related to theoretrical computer science. Main area of his research is the design of efficient algorithms and the analysis...
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Chip suction system in circular sawing machine: empirical research and computational fluid dynamics numerical simulations
PublicationThe experimental analysis of the wood chip removing system during its redesigning in the existing sliding table circular saw and computational fluid dynamic (CFD) numerical simulations of the air flow process is presented in the paper. The attention was focused on the extraction hood and the bottom shelter of the actual existing system. The main aim was to perform experimental research on the pressure distribution inside the...
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Computational Fluid Dynamic study on the wind characteristics of a multifunctional building system model in developed coastal cities
PublicationThis paper presents an approach for providing innovative technology by applying fluid mechanics to the field of architectural design. The aim is to make a building’s shape profitable and strengthen environmental protection by using the wind force to create an integrated wind absorption definition for a multifunctional building system model. Furthermore, taking control of the wind flow over an object can have an impact on not only...
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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publication5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
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Application of computational intelligence models in IoMT big data for heart disease diagnosis in personalized health care
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Optimization of hydrodynamic vortex separator for removal of sand particles from storm water by computational fluid dynamics
PublicationStorm water treatment has been gradually acknowledged for the removal of pollutants from urban areas using the hydro cyclone separation technique. The separation efficiency of the hydrodynamic vortex separator (HDVS) is a complex phenomenon. With the aim enhance the separation potency of HDVS for storm runoff to get rid of sand particles, the HDVS with different structural configurations was studied by computational fluid dynamics....
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Calculation of the standard potentials of the dithiocarbamate/thiuram disulfide redox system via thermochemical cycles and computational electrochemistry .
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Investigation on the effect of anti-pitch fins for reducing the motion and acceleration of ships using computational fluid dynamics
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Computational fluid dynamics simulation of heat transfer from densely packed gold nanoparticles to isotropic media
PublicationThis work aims to determine and compare heat generation and propagation of densely packed gold nanoparticles (Au NPs) induced by a resonant laser beam (532 nm) according to the Mie theory. The heat flux propagation is transferred into the materials, which here are: silica glass; soda-lime-silica glass; borosilicate glass; polymethyl methacrylate (PMMA); polycarbonate (PC); and polydimetylosiloxane (PDMS). This analysis aims to...
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Computational Bar Size Optimization of Single Layer Dome Structures Considering Axial Stress and Shape Disturbance
PublicationA computational method is proposed in this paper to minimize the material usage in the construction of modern spatial frame structures by prestressing a minimal number of members. The computational optimization is conducted in two steps. Firstly, a numerical model of a single-layer dome structure is used to minimize the cross-sectional area through several iterations. Different assumed ratios (r) ranging from 0.95 to 0.75 are multiplied...