Search results for: Born-Oppenheimer approximation - Bridge of Knowledge

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Search results for: Born-Oppenheimer approximation

Search results for: Born-Oppenheimer approximation

  • Customer Assessment of Brand Valuation and Social Media

    Publication

    - Year 2016

    The research problem engaged in this article is to determine whether contemporary consumers are able to assess brand equity in the overabundance of brands and products with similar features and qualities. The author argues that in the existing circumstances when differences between brands become insignificant the consumer is not capable of assessing their equity adequately. In order to verify the thesis the author has accepted...

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  • Computationally Efficient Design Optimization of Compact Microwave and Antenna Structures

    Publication

    - Year 2016

    Miniaturization is one of the important concerns of contemporary wireless communication systems, especially regarding their passive microwave components, such as filters, couplers, power dividers, etc., as well as antennas. It is also very challenging, because adequate performance evaluation of such components requires full-wave electromagnetic (EM) simulation, which is computationally expensive. Although high-fidelity EM analysis...

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  • Optimization of the Hardware Layer for IoT Systems using a Trust Region Method with Adaptive Forward Finite Differences

    Trust-region (TR) algorithms represent a popular class of local optimization methods. Owing to straightforward setup and low computational cost, TR routines based on linear models determined using forward finite differences (FD) are often utilized for performance tuning of microwave and antenna components incorporated within the Internet of Things systems. Despite usefulness for design of complex structures, performance of TR methods...

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  • Thermal-Resistant Polyurethane/Nanoclay Powder Coatings: Degradation Kinetics Study

    Publication
    • M. Jouyandeh
    • B. Hadavand
    • F. Tikhani
    • R. Khalili
    • B. Bagheri
    • P. Zarrintaj
    • K. Formela
    • H. Vahabi
    • M. Saeb

    - Coatings - Year 2020

    In the present study, thermal degradation kinetics of polyurethane (PU) powder coatings reinforced with organo-modified montmorillonite (OMMT) was investigated. PU nanocomposites were prepared in different concentrations of 1, 3, and 5 wt.% of OMMT via the extrusion method. The microstructure of the nanocomposites was observed by scanning electron microscope (SEM) illustrating uniform dispersion of OMMT nano-clay platelets in the...

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  • Design-Oriented Two-Stage Surrogate Modeling of Miniaturized Microstrip Circuits with Dimensionality Reduction

    Publication

    - IEEE Access - Year 2020

    Contemporary microwave design heavily relies on full-wave electromagnetic (EM) simulation tools. This is especially the case for miniaturized devices where EM cross-coupling effects cannot be adequately accounted for using equivalent network models. Unfortunately, EM analysis incurs considerable computational expenses, which becomes a bottleneck whenever multiple evaluations are required. Common simulation-based design tasks include...

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  • Low-Cost Modeling of Microwave Components by Means of Two-Stage Inverse/Forward Surrogates and Domain Confinement

    Full-wave electromagnetic (EM) analysis is one of the most important tools in the design of modern microwave components and systems. EM simulation permits reliable evaluation of circuits at the presence of cross-coupling effects or substrate anisotropy, as well as for accounting for interactions with the immediate environment. However, repetitive analyses required by EM-driven procedures, such as parametric optimization or statistical...

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  • An analytical four-layer horizontal electric current dipole model for analysing underwater electric potential in shallow seawater

    Publication

    - Scientific Reports - Year 2022

    The paper presents a new analytical four‑layer (air–water–bottom–non‑conductive layer) horizontal electric dipole model which allows an accurate approximation of ship’s Underwater Electric Potential (UEP) from a sufficient depth in shallow coastal marine waters. The numerical methods, usually Finite Element Method (FEM) or Boundary Elements Method (BEM), are typically used to estimate the electric field and the distribution of...

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  • Design-oriented modeling of antenna structures by means of two-level kriging with explicit dimensionality reduction

    The employment of full-wave electromagnetic (EM) analysis is a practical necessity in the design of contemporary antenna structures. This is because simpler models are generally not available or of limited accuracy. At the same time, EM-based design is computationally expensive. Consequently, the ways of accelerating tasks such as parametric optimization or uncertainty quantification have to be sought. A possible workaround that...

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  • Spin-Resolved Band Structure of Hoffman Clathrate [Fe(pz)2Pt(CN)4] as an Essential Tool to Predict Optical Spectra of Metal–Organic Frameworks

    Publication

    - ACS Applied Materials & Interfaces - Year 2023

    Paramount spin-crossover properties of the 3D-Hoffman metalorganic framework (MOF) [Fe(pz)2Pt(CN)4] are generally described on the basis of the ligand field theory, which provides adequate insight into theoretical and simulation analysis of spintronic complexes. However, the ligand field approximation does not take into account the 3D periodicity of the actual complex lattice and surface effects and therefore cannot predict a full-scale...

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  • Modeling of medium flow processes in transportation pipelines - the synthesis of their state-space models and the analysis of the mathematical properties of the models for leak detection purposes

    Publication

    - Year 2019

    The dissertation concerns the issue of modeling the pipeline flow process under incompressible and isothermal conditions, with a target application to the leak detection and isolation systems. First, an introduction to the model-based process diagnostics is provided, where its basic terminology, tools, and methods are described. In the following chapter, a review of the state of the art in the field of leak detection and isolation...

  • Anna Sobieraj-Żłobińska dr inż.

    Anna Sobieraj-Żłobińska (born in 1977 in Przasnysz) graduated from the National Education Commission High School in Przasnysz. From 1996 she continued her studies at the Faculty of Geodesy and Spatial Management at the University of Agriculture and Technology  Michał Oczapowski in Olsztyn. In 2001, she obtained a master's degree in engineering at the University of Warmia and Mazury in Olsztyn (thesis topic "Determining a multiple...

  • Synteza układu sterowania statkiem morskim dynamicznie pozycjonowanym w warunkach niepewności

    Publication

    - Year 2019

    Niniejsza monografia obejmuje zagadnienia związane z syntezą układu dynamicznego pozycjonowania statku w środowisku morskim z zastosowaniem wybranych nieliniowych metod sterowania. W ramach pracy autorka rozważała struktury sterowania z zastosowaniem wektorowej adaptacyjnej metody backstep oraz metod jej pokrewnych, takich jak regulatory MSS (ang. multiple surface sliding), DSC (ang. dynamic surface control), NB (ang. neural backstepping)....

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  • Janusz Nieznański prof. dr hab. inż.

    Janusz Nieznański born in 1957 in Gdańsk. He received the M.Sc. degree in 1981, the Ph.D. degree in 1990, and the D.Sc. (‘habilitation’) degree in 1999, all from the Gdańsk University of Technology. Since 1981 he has been with the above university, where he is currently Professor of Electrical Engineering. His research and teaching interests include control, diagnostics, modeling and simulation of power electronic converters and...

  • Janusz Cieśliński prof. dr hab. inż.

    He was born on April 15, 1954 in Slupsk. He graduated from the Faculty of Mechanical Engineering at Gdańsk University of Technology (1978). In 1986 he received the title of Doctor, in 1997 he obtained the title of Ph.D. with habilitation, and in 2006 he received the title of Professor. He worked as head of department and vice-dean for Education at the Faculty of Mechanical Engineering for two terms (2002-2008). His research interests...

  • Wernsdorf - a biography of an 18th century scholar - transcription, photographs and partial translation

    Open Research Data
    open access

    The data set contains the transcription of a large passage of the Latin biography of the eighteenth-century philologist and theologian Gottlieb Wernsdorf (1717-1774), as well as photos of the entire print. A translation from Latin into English and Polish was added to the data set as well (that is, excerpts on the education of both Gottlieb himself,...

  • Multi-objective optimization of expensive electromagnetic simulation models

    Vast majority of practical engineering design problems require simultaneous handling of several criteria. For the sake of simplicity and through a priori preference articulation one can turn many design tasks into single-objective problems that can be handled using conventional numerical optimization routines. However, in some situations, acquiring comprehensive knowledge about the system at hand, in particular, about possible...

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  • The effective elastic properties of human trabecular bone may be approximated using micro-finite element analyses of embedded volume elements.

    Publication

    Boundary conditions (BCs) and sample size affect the measured elastic properties of cancellous bone. Samples too small to be representative appear stiffer under kinematic uniform BCs (KUBCs) than under periodicity-compatible mixed uniform BCs (PMUBCs). To avoid those effects, we propose to determine the effective properties of trabecular bone using an embedded configuration. Cubic samples of various sizes (2.63, 5.29, 7.96, 10.58...

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  • Spatio-Temporal Validation of GNSS-Derived Global Ionosphere Maps Using 16 Years of Jason Satellites Observations

    Publication

    Existing ionospheric models perform very well in mapping the calm state of the ionosphere. However, the problem is accurately determining the total electron content (TEC) for disturbed days. Knowledge of the exact electron density is essential for single−frequency receivers, which cannot eliminate the ionospheric delay. This study aims to investigate temporal and spatial variability in the distribution of TEC based on differences...

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  • Fast and reliable knowledge-based design closure of antennas by means of iterative prediction-correction scheme

    A novel framework for expedited antenna optimization with an iterative prediction-correction scheme is proposed. The methodology is comprehensively validated using three real-world antenna structures: narrow-band, dual-band and wideband, optimized under various design scenarios. The keystone of the proposed approach is to reuse designs pre-optimized for various sets of performance specifications and to encode them into metamodels...

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  • Marek Dzida dr hab. inż.

    He was born on 6 August 1953 in Bielsko-Biała. He is a graduate of the Institute of Shipbuilding at Gdańsk University of Technology. Since 1978 he has been working at Faculty of Ocean Engineering and Ship Technology at GUT. In 1983 he received the title of Doctor of Technical Sciences, and in 2001 – the title of Doctor with habilitation. He is currently employed as Associate Professor at GUT. He worked as vice-dean for Education...

  • Sławomir Milewski prof. dr hab. inż.

    Sławomir Milewski, born in 1955 in Puck, Poland, graduated in 1979 in Chemistry from the Faculty of Chemistry, Gdańsk University of Technology (GUT). In 1984 was employed at the Department of Pharmaceutical Technology and Biochemistry. In 1985 he got his PhD, in 1994 became a DSc (habilitation) and in 2002 got the professorship in chemical sciences. Currently he is a full professor and Head of the Department of Pharmaceutical Technology...

  • Agnieszka Pladzyk dr hab. inż.

    Agnieszka Pladzyk, born in 1973 in Pisz, graduated in 1998 in Biotechnology from the Faculty of Chemistry GUT. Her MSc thesis entitled Production of recombinant human calcitonin in bacterial system and its purification with the use of metal affinity chromatography was done under the supervision of professor Józef Kur. In 2003 she defended the PhD with distinctions and her PhD thesis entitled Cobalt tri-tert-butoxysilanethiolates...

  • Биополитика согласно Чеславу Милошу

    Publication

    - Year 2020

    The paper shows the origins of the transformation of history into biohistory as well as politics into biopolitics in the writings of Miłosz. It takes into account his view of history when he was a child and his social experiences when he was at school. It proves that the fact that Miłosz comprehends the world within the categories of biopolitics results from projecting Darwinism on the historical past, and then projecting on...

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  • Expedited constrained multi-objective aerodynamic shape optimization by means of physics-based surrogates

    Publication

    - APPLIED MATHEMATICAL MODELLING - Year 2016

    In the paper, computationally efficient constrained multi-objective design optimization of transonic airfoil profiles is considered. Our methodology focuses on fixed-lift design aimed at finding the best possible trade-offs between the two objectives: minimization of the drag coefficient and maximization of the pitching moment. The algorithm presented here exploits the surrogate-based optimization principle, variable-fidelity computational...

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  • RANS-based design optimization of dual-rotor wind turbines

    Publication

    - ENGINEERING COMPUTATIONS - Year 2018

    Purpose An improvement in the energy efficiency of wind turbines can be achieved using dual rotors. Because of complex flow physics, the design of dual-rotor wind turbines (DRWTs) requires repetitive evaluations of computationally expensive partial differential equation (PDE) simulation models. Approaches for solving design optimization of DRWTs constrained by PDE simulations are investigated. The purpose of this study is to determine...

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  • Grid Implementation of a Parallel Multiobjective Genetic Algorithm for Optimized Allocation of Chlorination Stations in Drinking Water Distribution Systems: Chojnice Case Study

    Solving multiobjective optimization problems requires suitable algorithms to find a satisfactory approximation of a globally optimal Pareto front. Furthermore, it is a computationally demanding task. In this paper, the grid implementation of a distributed multiobjective genetic algorithm is presented. The distributed version of the algorithm is based on the island algorithm with forgetting island elitism used instead of a genetic...

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  • Direct Constraint Control for EM-Based Miniaturization of Microwave Passives

    Handling constraints imposed on physical dimensions of microwave circuits has become an important design consideration over the recent years. It is primarily fostered by the needs of emerging application areas such as 5G mobile communications, internet of things, or wearable/implantable devices. The size of conventional passive components is determined by the guided wavelength, and its reduction requires topological modifications,...

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  • Recent advances in high-frequency modeling by means of domain confinement and nested kriging

    Publication

    Development of modern high-frequency components and circuits is heavily based on full-wave electromagnetic (EM) simulation tools. Some phenomena, although important from the point of view of the system performance, e.g., EM cross-coupling effects, feed radiation in antenna arrays, substrate anisotropy, cannot be adequately accounted for using simpler means such as equivalent network representations. Consequently, the involvement...

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  • Effects of Ca2+, Mg2+, Na+, and K+ substitutions on the microstructure and electrical properties of GdCoO3 ceramics

    Publication

    - JOURNAL OF ELECTROCERAMICS - Year 2020

    GdCoO3-δ, Gd0.975Na0.025CoO3-δ, Gd0.98K0.02CoO3-δ, Gd0.98Ca0.02CoO3-δ, and GdCo0.99Mg0.01O3-δ ceramics were prepared via a solid-state reaction route. Among the dopants studied, substitution with Ca2+ slightly enhanced the densfication of GdCoO3 ceramics. All the lattice parameters of the doped ceramics were larger than those of pure GdCoO3-δ ceramic (a = 5.223 Å, b = 5.389 Å and c = 7.451 Å), and their cell volumes increased by...

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  • Global defensive secure structures

    Publication

    Let S ⊂ V (G) for a given simple non-empty graph G. We define for any nonempty subset X of S the predicate SECG,S(X) = true iff |NG[X]∩S| ≥ |NG[X]\S|. Let H be a non-empty family of graphs such that for each vertex v ∈ V (G) there is a subgraph H of G containing v and isomorphic to a member of H. We introduce the concept of H-alliance extending the concept of global defensive secure structures. By an H-alliance in a graph G we...

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  • Sensitivity analysis as a tool to optimise Human Development Index

    Research background: Composite indicators are commonly used as an approximation tool to measure economic development, the standard of living, competitiveness, fairness, effectiveness, and many others being willingly implemented into many different research disciplines. However, it seems that in most cases, the variable weighting procedure is avoided or erroneous since, in most cases, the so-called...

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  • Dimensionality-Reduced Antenna Modeling with Stochastically Established Constrained Domain

    Over the recent years, surrogate modeling methods have become increasingly widespread in the design of contemporary antenna systems. On the one hand, it is associated with a growing awareness of numerical optimization, instrumental in achieving high-performance structures. On the other hand, considerable computational expenses incurred by massive full-wave electromagnetic (EM) analyses, routinely employed as a major design tool,...

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  • Robert Jankowski prof. dr hab. inż.

    He was born on December 26, 1968 in Gdynia. A graduate of the High School at the Consulate of Poland in Benghazi, Libya (1987), a student at the Gdańsk University of Technology (MSc studies, 1987-1991 and 1992-1993), University of Sheffield, England (BSc studies, 1991-1992), University of Roskilde, Denmark (MSc course, 1993) and University of Tokyo, Japan (PhD studies, 1994-1997). From the beginning of his professional career associated...

  • Numerical Issues and Approximated Models for the Diagnosis of Transmission Pipelines

    Publication

    The chapter concerns numerical issues encountered when the pipeline flow process is modeled as a discrete-time state-space model. In particular, issues related to computational complexity and computability are discussed, i.e., simulation feasibility which is connected to the notions of singularity and stability of the model. These properties are critical if a diagnostic system is based on a discrete mathematical model of the flow...

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  • THE METHOD OF MEASURING THE MEMBRANE COVER GEOMETRY USING LASER SCANNING AND SYNCHRONOUS PHOTOGRAMMETRY

    The authors present the experience and results of field studies carried out at the technical acceptance of Forest Opera (name in Polish: Opera Leśna) in Sopot (Poland). An unusual design of covering made in the form of “Sheerfill I” technical fabric membrane required spanned in the form of sails, required the use of terrestrial laser scanning. Such approach allowed for the fast and accurate record of the surface of individual panels...

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  • Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach

    Publication
    • J. Guthmuller
    • B. Champagne
    • F. Cecchet
    • D. Lis
    • Y. Caudano
    • A. Mani
    • A. Peremans

    - JOURNAL OF PHYSICS-CONDENSED MATTER - Year 2012

    The knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...

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  • Agata Kot-Wasik prof. dr hab. inż.

    Agata Kot-Wasik, born in 1964 in Siedlce, graduated in 1988 from the Faculty of Chemistry, Gdańsk University of Technology in Industrial and Technical Analysis. In 1988-1992 she was employed in the Department of Organic Chemistry. In 1990, she completed postgraduate studies "Instrumental techniques in the traces analysis and Environmental Protection" at GUT, and in 1992 began PhD Studies at the Faculty of Chemistry, GUT, which...

  • Patrycja Szpinek mgr inż.

    People

    Born 1978, Gdynia, Poland.Studies in marketing and management at Faculty of Management and Economics of the Gdańsk University of Technology (1997-2002). Since 2003 employed in Department of Analytical Chemistry.

  • Tomasz Edward Berezowski dr inż.

    He was born in 1986 in Warsaw. He graduated in 2009 with honors from the Interfaculty Study of Environmental Protection at SGGW in Warsaw, specialty Restoration and Management of Environment. He defended his doctorate with honors at Vrije UIniversiteit Brussels in 2015. In 2015-2017 he worked as an assistant and then assistant professor at the Faculty of Civil and Environmental Engineering at SGGW. In 2017, he was employed as an...

  • Representation of magnetic hysteresis in a circuit model of a single-phase transformer

    The paper presents a mathematical model for the hysteresis phenomenon in a multi-winding single-phase core type transformer. The set of loop differential equations was developed for K-th winding transformer model where the flux linkages of each winding includes a flux common Φ to all windings as function of magneto motive force Θ of all windings. The first purpose of this paper is to determine a hysteresis nonlinearity involved...

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  • Scheduling of compatible jobs on parallel machines

    Publication

    - Year 2021

    The dissertation discusses the problems of scheduling compatible jobs on parallel machines. Some jobs are incompatible, which is modeled as a binary relation on the set of jobs; the relation is often modeled by an incompatibility graph. We consider two models of machines. The first model, more emphasized in the thesis, is a classical model of scheduling, where each machine does one job at time. The second one is a model of p-batching...

  • Paweł Derkacz

    People

    Pawel B. Derkacz was born in Miastko, Poland, in 1993. He received the B.Sc. and M.Sc. degrees in electrical engineering from the Gdansk University of Technology (GUT), Gdansk, Poland, in 2016 and 2017, respectively. In October 2017, he joined the Faculty of Electrical and Control Engineering at GUT Gdansk. In June 2019, he joined the Grenoble Electrical Engineering Laboratory (G2Elab) at Grenoble Institute of Technology (Grenoble...

  • Piotr Dominiak prof. dr hab.

    People

    He was born in Radom on June 29, 1948. He graduated in Economy at the University of Warsaw (1971), where he also obtained his doctorate (1976) and his habilitation (1989). He received the title of Professor in 2005. He has been working at GUT since 1971. Between 1991 and1993 he was a director of the Institute of Economic Sciences and Humanities at GUT. He was the Dean of the Faculty of Management and Economics in the years 1993-1999...

  • Rare earth ions doped K 2 Ta 2 O 6 photocatalysts with enhanced UV–vis light activity

    Publication

    - APPLIED CATALYSIS B-ENVIRONMENTAL - Year 2018

    New rare earth-doped K2Ta2O6 photocatalysts were successfully synthesized by hydrothermal method. The effect of dopant type (Y,Yb,Ho,Pr,Er) and amount of rare earth precursor (2,4,8 and 10 mol%) on the physicochemical and photocatalytic properties of RE-K2Ta2O6 have been investigated. All as-prepared materials were characterized by UV–vis diffuse reflectance spectroscopy, Brunauer-Emmett-Teller specific surface area measurement,...

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  • Wojciech Sadowski prof. dr hab. inż.

    Wojciech Sadowski (born 2 February 1954 in Ostaszewo, Poland), scientist, engineer, professor at Gdansk University of Technology, specialist in solid state body physics, nanotechnology, optoelectronics. In 1973 he completed his high school education at High School Nicolaus Copernicus in Chelmno. In 1979 he graduate from Leningrad Electrotechnical Institute in Russia (former Soviet Union) with specialism in dielectrics and semiconductors....

  • Karol Rudziński inż.

    Karol Rudziński (born on August 18, 1979 in Inowrocław). After graduating from Shipbuilding Technical School in Gdańsk, he continued his studies at Faculty of Mechanical Engineering of Gdańsk University of Technology. He graduated in 2007 engineering studies in specialization: Mechanics and Machine Building, Machine Technology. In 2002, he started working at Faculty of Hydro and Environmental Engineering at Gdańsk University of...

  • Dariusz Mikielewicz prof. dr hab. inż.

    Professor Dariusz Mikielewicz – born on February 6, 1967. in Gdansk. Here in 1974 he enrolled first to the Elementary School No. 17, and then in the Grammar School No. 5, named after Stefan Żeromski in Gdansk-Oliwa. After graduating from the Secondary School, with honors, in 1985 he successfully passed the entrance exams to the Faculty of Mechanical Engineering of Technical University of Gdansk, where he graduated with a very good...

  • Dr. Asmaa Mahfoud Al-Hakimi PhD

    People

    Dr. ASMA’A MAHFOUD HEZAM AL-HAKIMY from Yemen was born in Egypt 9th October. Received Diploma in Computer Programming in 2006 from University of Science and Technology Sanaa Yemen. Received Bachelor’s Degree in Computer Studies in 2008 from NORTHUMBRIA Newcastle University UK. Received master’s degree in Software Engineering in 2011 from STAFFORDSHIRE University, UK. Received PhD in Software Engineering from Universiti Putra Malaysia....

  • Towards spectral sensitivity curve for two-photon vision mechanism

    Publication
    • M. J. Marzejon
    • Z. Agnieszka
    • D. Stachowiak
    • G. Soboń
    • M. Wojtkowski
    • K. Katarzyna

    - Year 2022

    Abstract Purpose: The perceived brightness of different visible light sources can be compared with photometric units based on the standardized luminosity curves (300-780nm range). As reported previously (PNAS 111(50), pp. E5445-E5454 (2014)), near-infrared (NIR) radiation can cause isomerization of visual pigments by one- or two-photon absorption. The perceived color of the stimulus is red in the case of one-photon vision (1PV)...

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  • Wojciech Chrzanowski dr hab. inż.

    People

    Wojciech Chrzanowski was born in 1952 in Toruń. He completed his studies in Chemical Technology in 1975, getting his MSc in Inorganic Technology (specialty: Anti-Corrosion Protection) At the Faculty of Chemistry, Gdańsk University of Technology (with distinction). Later this year he was employed in the Department of Analytical Chemistry of then Institute of Chemical Engineering and Measuring Techniques, initially as a technical...