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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Long range molecular dynamics study of interactions of the eukaryotic glucosamine-6-phosphate synthase with fructose-6-phosphate and UDP-GlcNAc
PublicationGlucosamine-6-phosphate synthase (EC 2.6.1.16) is responsible for catalysis of the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5 diphospho Nacetyl- d-glucosamine (UDP-GlcNAc), is an essential substrate for assembly of bacterial and fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which...
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Simplified AutoDock force field for hydrated binding sites
Publicationhas been extracted from the Protein Data Bank and used to test and recalibrate AutoDock force field. Since for some binding sites water molecules are crucial for bridging the receptor-ligand interactions, they have to be included in the analysis. To simplify the process of incorporating water molecules into the binding sites and make it less ambiguous, new simple water model was created. After recalibration of the force field on...
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ACM/IEEE International Conference on Modelling, Analysis and Simulation of Wireless and Mobile Systems
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Central-force decomposition of spline-based modified embedded atom method potential
PublicationCentral-force decompositions are fundamental to the calculation of stress fields in atomic systems by means of Hardy stress. We derive expressions for a central-force decomposition of the spline-based modified embedded atom method (s-MEAM) potential. The expressions are subsequently simplified to a form that can be readily used in molecular-dynamics simulations, enabling the calculation of the spatial distribution of stress in...
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The consideration to the dynamic systems parameter identification
PublicationIn this paper, a concept for continuous-time dynamic systems parameter identification using modulating function approach is presented. It refers to linear as well as selected non-linear systems. It shows the possibility of direct application without converting differential equation. In particular cases direct application can decrease the amount of computation in non-linear system identification, which generally requires Fourier...
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Empirically adjusted and consistent set of EHT valence orbital parametersfor all elements of the periodic table. Modelling Simul. Mater. Sci. Eng. [online]. 2004 vol. 12 [dostęp..] s. 21-32, 3 rys. 3 tab. bibliogr. 35 poz. Dostępny w Internecie stacks.iop.org/MSMSE/12/21.ISSN 0965-0393 Jednorodny skorygowany empirycznie zbiór parametrów EHT dla orbitali walen- cyjnych pierwiastków.
PublicationModel atomu HFS został zmodyfikowany poprzez przypisanie każdemu z atomówindywidualnego parametru ŕ. Wartości ŕ dobrano w oparciu o pierwszy poten-cjał jonizacji atomu. Parametry EHT wyznaczono w oparciu o tak zmodyfikowa-ny model HFS.
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Emotions in Human-Computer Interaction Research Group (EMORG)
Research Teams* rozpoznawanie emocji użytkownika (ang. emotion elicitation) * reprezentację informacji o emocjach użytkownika (ang. emotion representation/ affect modelling) i zarządzanie nimi * ekspresję emocji lub reakcję na emocje przez programy np. przez wirtualne postaci (ang. affect expression) * wybrane zastosowania to badanie użyteczności oprogramowania rozszerzone o aspekty emocjonalne * badania wzorców behawioralnych w połączeniu...
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Enhanced uniform data sampling for constrained data‐driven modeling of antenna input characteristics
PublicationData-driven surrogates are the most popular replacement models utilized in many fields of engineering and science, including design of microwave and antenna structures. The primary practical issue is a curse of dimensionality which limits the number of independent parameters that can be accounted for in the modelling process. Recently, a performance-driven modelling technique has been proposed where the constrained domain of the...
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Rapid tolerance‐aware design of miniaturized microwave passives by means of confined‐domain surrogates
PublicationThe effects of uncertainties, primarily manufacturing tolerances but also incomplete information about operating conditions or material parameters, can be detrimental to the performance of microwave components. Quantification of such effects is essential to ensure a meaningful evaluation of the structure, in particular, its reliability under imperfect fabrication procedures. The improvement of the circuit robustness can be achieved...
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Rapid redesign of multiband antennas with respect to operating conditions and material parameters of substrate
PublicationThis work addresses geometry parameter scaling of multi-band antennas for Internet of Things applications. The presented approach is comprehensive and permits re-design of the structure with respect to both the operating frequencies and material parameters of the dielectric substrate. A two-step procedure is developed with the initial design obtained from an inverse surrogate model constructed using a set of appropriately prepared...
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Birch sap concentrate as a potential modern food product
PublicationThis paper presents birch sap concentrate obtained by the reverse osmosis method. It is characterized by sweet taste, high content of minerals and no risk to consumers in terms of content of heavy metals standardized in the European Union food legislation. This beverage has all the features of a modern food product, i.e. it has an attractive taste, is obtained using new technology, meets the clean label requirements and can be...
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The energy consumption during the birch tree sap concentration process using the reverse osmosis system
PublicationBirch tree sap was concentrated by mens of the reversed osmosis technique. The energy consumption in a small-scale pilot apparatus was estimated. The threshold value for the water removal above which the specific energy consumption significantly increased was identified. Below the threshold value the reversed osmosis had low energy demand and could be an attractive method for the production of birch tree sap-based beverages.
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Size reduction of ultra-wideband antennas with efficiency and matching constraints
PublicationAntenna design is a multifaceted task that involves handling of various performance figures concerning both electrical performance of the structure as well as its geometry. Simultaneous control of several objectives through rigorous optimization is very challenging and virtually impossible through conventional approaches such as parameter sweeping. In this work, we investigate size reduction of ultra‐wideband antenna structures...
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A review on analytical models of brushless permanent magnet machines
PublicationThis study provides an in-depth investigation of the use of analytical and numerical methods in analyzing electrical machines. Although numerical models such as the finite-element method (FEM) can handle complex geometries and saturation effects, they have significant computational burdens, are time-consuming, and are inflexible when it comes to changing machine geometries or input values. Analytical models based on magnetic equivalent...
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A subdomain model for armature reaction field and open‐circuit field prediction in consequent pole permanent magnet machines
PublicationIn 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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New data acquisition system for birch sap concentrate production using the reverse osmosis technology
PublicationThe work presents a simple electronic device that helps to monitor the basic parameters of the reverse osmosis (RO) system during the concentration of birch tree sap. The construction costs are low (around 150 Euro) but the functionality of the device is high. It has an in-build two channel conductometer and can measure the volumetric flow rate of two streams of liquids. The collected data are transmitted wirelessly via Bluetooth...
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Kriging metamodels and design re‐utilization for fast parameter tuning of antenna structures
PublicationThe paper addresses the problem of computationally efficient electromagnetic (EM)‐driven design closure of antenna structures. The foundations of the presented approach are fast kriging interpolation metamodels, utilized for two purposes: (a) producing a good starting point for further parameter tuning, and (b) yielding a reasonable Jacobian matrix estimate to jump‐start the optimization procedure. The models are rendered using...
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Editorial for the special issue on advances in forward and inverse surrogate modeling for high-frequency design
PublicationThe design of modern‐day high‐frequency devices and circuits, including microwave/RF, antenna and photonic components, historically has relied on full‐wave electromagnetic (EM) simulation tools. Initially used for design verification, EM simulations are nowadays used in the design process itself, for example, for finding optimum values of geometry and/or material parameters of the structures of interest. In a growing number of...
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EM‐driven constrained miniaturization of antennas using adaptive in‐band reflection acceptance threshold
PublicationNumerical optimization of geometry parameters is a critical stage of the design process of compact antennas. It is also challenging because size reduction is constrained by the necessity of fulfilling imposed electrical performance requirements. Furthermore, full‐wave electromagnetic (EM) analysis needs to be used for reliable performance evaluation of the antenna structure, which is computationally expensive. In this paper, an...
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A bisection‐based heuristic for rapid EM‐driven multiobjective design of compact impedance transformers
PublicationDesign of microwave structures is a multiobjective task where several conflicting requirements have to be considered at the same time. For contemporary circuits characterized by complex geometries, multiobjective optimization cannot be performed using standard population‐based algorithms due to high cost of electromagnetic (EM) evaluations. In this work, we propose a deterministic approach for fast EM‐driven multiobjective design...
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Recent Advances in Performance-Driven Surrogate Modeling of High-Frequency Structures
PublicationDesign of high‐frequency structures, including microwave and antenna components, heavily relies on full‐wave electromagnetic (EM) simulation models. Their reliability comes at a price of a considerable computational cost. This may lead to practical issues whenever numerous EM analyses are to be executed, e.g., in the case of parametric optimization. The difficulties entailed by massive simulations may be mitigated by the use of...
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Variable‐fidelity modeling of antenna input characteristics using domain confinement and two‐stage Gaussian process regression surrogates
PublicationThe major bottleneck of electromagnetic (EM)-driven antenna design is the high CPU cost of massive simulations required by parametric optimization, uncertainty quantification, or robust design procedures. Fast surrogate models may be employed to mitigate this issue to a certain extent. Unfortunately, the curse of dimensionality is a serious limiting factor, hindering the construction of conventional data-driven models valid over...
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A Novel Trust-Region-Based Algorithm with Flexible Jacobian Updates for Expedited Optimization of High-Frequency Structures
PublicationSimulation-driven design closure is mandatory in the design of contemporary high-frequency components. It aims at improving the selected performance figures through adjustment of the structure’s geometry (and/or material) parameters. The computational cost of this process when employing numerical optimization is often prohibitively high, which is a strong motivation for the development of more efficient methods. This is especially...
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Low-cost multi-criterial design optimization of compact microwave passives using constrained surrogates and dimensionality reduction
PublicationDesign of contemporary microwave circuits is a challenging task. Typically, it has to take into account several performance requirements and constraints. The design objectives are often conflicting and their simultaneous improvement may not be possible; instead, compromise solutions are to be sought. Representative examples are miniaturized microwave passives where reduction of the circuit size has a detrimental effect on its electrical...
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Cezary Orłowski prof. dr hab. inż.
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Krzysztof Giaro prof. dr hab. inż.
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Marek Kubale prof. dr hab. inż.
PeopleDetails concerning: Qualifications, Experiences, Editorial boards, Ph.D. theses supervised, Books, and Recent articles can be found at http://eti.pg.edu.pl/katedra-algorytmow-i-modelowania-systemow/Marek_KubaleGoogle ScholarSylwetka prof. Marka Kubalego Prof. Marek Kubale pracuje na Wydziale ETI Politechniki Gdańskiej nieprzerwanie od roku 1969. W tym czasie napisał ponad 150 prac naukowych, w tym ponad 40 z listy JCR. Ponadto...
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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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Jakub Montewka prof. dr hab. inż.
PeopleJakub Montewka is an associate professor at Gdańsk University of Technology in Poland and visiting processor at Aalto University in Espoo, Finland and Wuhan University of Technology in China. Jakub is researching in the field of maritime traffic risk and safety. His primary interests lie in the risk assessment of maritime transportation, quantification of safety of maritime navigation, route optimization for ships in ice-covered...
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Dariusz Dereniowski prof. dr hab. inż.
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Tomasz Zubowicz dr inż.
PeopleTomasz Zubowicz has received his M.Sc. Eng. degree in Control Engineering from the Faculty of Electrical and Control Engineering at the Gda{\'n}sk University of Technology (GUT) in $2008$. He received his Ph.D. Eng. (Hons.) in the field of Control Engineering from the same faculty in $2019$. In $2012$ he became a permanent staff member at the Department of Intelligent Control and Decision Support Systems at GUT and a member of...
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Michał Mazur dr inż.
PeopleAktualne zainteresowania inżynieria mechaniczna, robotyka, drgania mechaniczne, analiza modalna, sterowanie, systemy czasu rzeczywistego Wybrane publikacje Kaliński K., Galewski M., Mazur M., Chodnicki M, 2017, Modelling and Simulation Of A New Variable Stiffness Holder for Milling Of Flexible Details, Polish Maritime Research, vol 24, ss. 115-124 Kaliński K. J., Mazur M.: Optimal control at energy performance index of the mobile...
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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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Rafał Lech dr hab. inż.
PeopleIEEE Senior Member #92122578 Rafal Lech was born in Elblag, Poland, in 1977. He received the M.Sc.E.E. and Ph.D. degrees (with honors) from the Gdansk University of Technology, Gdansk, Poland, in 2001 and 2007, respectively. He is currently with the Faculty of Electronics, Department of Microwave and Antenna Engineering, Telecommunications and Informatics, Gdansk University of Technology. His main research interests are electromagnetic-wave...
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Mieczysław Brdyś prof. dr hab. inż.
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Tadeusz Stolarski prof. dr hab. inż.
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Joanna Raczek dr inż.
PeopleEmployment 2003 -- 2019: Faculty of Applied Physics and Mathematics, Gdańsk University of Technology. 2019 - present: Faculty of Electronic, Informatics and Telecominications, Gdańsk University of Technology. Education May 2007: Doctor of Philosophy in Mathematics, University of Gdańsk. Doctoral dissertation: "Paired domination and doubly domination in graphs". Supervisor: dr hab. Jerzy Topp. 2000 -- 2004 Bachelor of Science...
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St. Adalberd church 3D point model
Open Research DataResearch data show the church of St. Adalbert in Gdansk, Poland. Two layers are presented in the .zip file: one represents the laser scanning result, the second represents the point cloud from 36 photogrammetry images from the UAV system. The aligned point clouds formed the basis to create the high-resolution 3D model. Reference data are laser scanning...
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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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Agnieszka Witkowska dr hab. inż.
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Robert Janczewski dr hab. inż.
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Filip Kutt dr inż.
PeopleFilip Kutt was born in Gdansk, Poland. He received the M.Sc., PhD, degrees in electrical engineering in 2007 and 2013, respectively, all from Gdansk University of Technology (GUT) Poland. He is with GUT since 2007, currently as an Assistant Professor. His main scientific and research interests cover a wide spectrum of mathematical modelling of electrical machines using analytical modelling and FEM-based computations.
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Mariusz Kaczmarek dr hab. inż.
PeopleReceived M.Sc., Eng. in Electronics in 1995 from Gdansk University of Technology, Ph.D. in Medical Electronics in 2003 and habilitation in Biocybernetics and Biomedical Engineering in 2017. He was an investigator in about 13 projects receiving a number of awards, including four best papers, practical innovations (7 medals and awards) and also the Andronicos G. Kantsios Award and Siemens Award. Main research activities: the issues...
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Piotr Andrzej Mironowicz dr inż.
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Results of electrical voltage measurements in reactors - part 1
Open Research DataResults of electric voltage measurements in six reactors using various plantings. These are the results of the project: Integrated approach 3M (Macrophytes-Microbiome-Modelling) to elucidate mechanisms of bioenergy production and micropollutants transformation in Floating Treatment Wetlands combined with Microbial Fuel Cells.
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Krzysztof Pastuszak mgr inż.
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Leszek Jarzębowicz dr hab. inż.
PeopleLeszek Jarzebowicz received the M.Sc., Ph.D. and D.Sc. degrees from Gdansk University of Technology (GUT), Poland, in 2005, 2010 and 2019, respectively. His research areas include control and modeling of electric drives, diagnostics of railway vehicles, analysis of energy efficiency in electrified transport, and microprocessor implementation of control algorithms. His teaching interests focus on electric vehicles, electrical engineering...
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Michał Michna dr hab. inż.
PeopleMichal Michna received the M.Sc. and Ph.D. degrees in electrical engineering from the Gdansk University of Technology (GUT), Gdansk, Poland, in 1998 and 2005, respectively. Since 2004, he was employed at the Department of Power Electronics and Electrical Machines of the Gdańsk University of Technology (assistant, assistant professor, senior lecturer). In 2010-2015 he was a deputy of head of the Department of Power Electronics and...
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Simulation of the switched reluctance drive system
PublicationSwitched reluctance motors (SRM), unlike other types of motors, for their application require a control system and the supply from a power electronic converter. A method of modelling and mathematical model of an SRM in a switched reluctance drive (SRD) system is presented in the paper. Modelling is based on Lagrange's energy method. Coefficients of the Lagrange's equation have been calculated using the finite element method (FEM)....