Wyszukiwarka
Filtry
wszystkich: 4820
-
Katalog
- Publikacje 4019 wyników po odfiltrowaniu
- Czasopisma 319 wyników po odfiltrowaniu
- Konferencje 29 wyników po odfiltrowaniu
- Osoby 71 wyników po odfiltrowaniu
- Projekty 10 wyników po odfiltrowaniu
- Kursy Online 49 wyników po odfiltrowaniu
- Wydarzenia 2 wyników po odfiltrowaniu
- Dane Badawcze 321 wyników po odfiltrowaniu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: MOLECULAR DYNAMICS SIMULATION
-
Sylwester Kaczmarek dr hab. inż.
OsobySylwester Kaczmarek ukończył studia w 1972 roku jako mgr inż. Elektroniki, a doktorat i habilitację uzyskał z technik komutacyjnych i inżynierii ruchu telekomunikacyjnego w 1981 i 1994 roku na Politechnice Gdańskiej. Jego zainteresowania badawcze ukierunkowane są na: sieci IP QoS, sieci GMPLS, sieci SDN, komutację, ruting QoS, inżynierię ruchu telekomunikacyjnego, usługi multimedialne i jakość usług. Aktualnie jego badania skupiają...
-
Molecular hydrogen solvated in water – A computational study
PublikacjaThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
-
Synteza układu sterowania statkiem morskim dynamicznie pozycjonowanym w warunkach niepewności
PublikacjaNiniejsza 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)....
-
Web-based real-time simulation system
PublikacjaThe paper presents the development of a simulation system composed of a real-time plant simulator with real-time controller included in the software-in-the-loop structure using web-based communication. The client-server architecture build in a TCP/IP network environment was introduced, where the server is a computing unit for real-time high temporal resolution plant simulation (and optionally also as controllers' platform) and...
-
Dynamics near nonhyperbolic fixed points or nontransverse homoclinic points
Publikacja -
Recognizing emotions on the basis of keystroke dynamics
PublikacjaThe article describes a research on recognizing emotional states on the basis of keystroke dynamics. An overview of various studies and applications of emotion recognition based on data coming from keyboard is presented. Then, the idea of an experiment is presented, i.e. the way of collecting and labeling training data, extracting features and finally training classifiers. Different classification approaches are proposed to be...
-
Molecular Imaging and Nanotechnology—Emerging Tools in Diagnostics and Therapy
PublikacjaPersonalized medicine is emerging as a new goal in the diagnosis and treatment of diseases. This approach aims to establish differences between patients suffering from the same disease, which allows to choose the most effective treatment. Molecular imaging (MI) enables advanced insight into molecule interactions and disease pathology, improving the process of diagnosis and therapy and, for that reason, plays a crucial role in personalized...
-
Dynamics of Ice Jam Formation and Release
PublikacjaThe numerical model DynaRICE and its application to ice jam formation and release is presented. The model is a two-dimensional coupled flow and ice dynamic model. The ice dynamic component, which includes both the internal ice resistance and boundary friction on ice motion, uses a Lagrangian SPH method. The hydrodynamic component of the model uses a streamline upwind finite element method, which is capable of simulating trans-critical...
-
Simulation of large thrust-bearing performance at transient states, warm and cold start-up
PublikacjaThe start-up of a large hydrodynamic thrust bearing of a vertical hydrogenerator is one of the most critical situations during the lifetime of a bearing. Hydrodynamic load capacity is low due to low speed and higher thermal deformations of the pad. A new approach to the simulation of a hydrodynamic bearing is shown in this article. A combination of finite elements method and computational fluid dynamics is used to perform the transient...
-
SIMULATION MODEL OF ASON/GMPLS ARCHITECTURE
PublikacjaGrowing demands of information society concerned with sophisticated applications could be satisfied by ASON/GMPLS architecture comprehended as Automatically Switched Optical Network (ASON) with Generalized Multi-Protocol Label Switching (GMPLS). The ASON/GMPLS proposition represents the future direction of Next Generation Network (NGN) architecture. Therefore considerable work has to be done to examine this solution. In this aspect...
-
Excited-state proton transfer and geminate recombination in the molecular cage of β-cyclodextrin
PublikacjaExcited-state proton transfer and geminate recombination in aqueous heptakis(2,6-di-O-methyl)-β-cyclodextrin have been compared with those in water by monitoring the photoinduced prototropic tautomerization of 6-hydroxyquinoline, which occurs via forming anionic intermediate. Enol deprotonation decelerates by 18 times whereas its reverse process accelerates slightly with encapsulation. The imine protonation of the intermediate...
-
Grzegorz Zieliński dr inż.
OsobyAutor ponad 100 publikacji naukowych (zarówno w języku polskim, jak i angielskim) z zakresu zarządzania działalnością usługową, doskonalenia podmiotów, w tym podmiotów leczniczych. Zainteresowania naukowo-badawcze obejmują obszary związane z dojrzałością i doskonałością przedsiębiorstw w różnych aspektach ich działalności. Uczestniczył w projektach badawczych Narodowego Centrum Nauki oraz projektach realizowanych przez międzynarodowe...
-
Communications in Nonlinear Science and Numerical Simulation
Czasopisma -
Three-dimensional conceptual model for service-oriented simulation
Publikacjan this letter, we propose a novel three-dimensional conceptual model for an emerging service-oriented simulation paradigm. The model can be used as a guideline or an analytic means to find the potential and possible future directions of the current simulation frameworks. In particular, the model inspects the crossover between the disciplines of modeling and simulation, service-orientation, and software/systems engineering. Finally,...
-
Using River Formation Dynamics Algorithm in Mobile Robot Navigation
PublikacjaRiver Formation Dynamics is a heuristic optimization algorithm based on the manner, in which drops of water form the river bed. The idea is to imitate the movement of drops on the edges between given nodes thus performing a search based on their height, which is modified through the mechanism of soil erosion and sediment deposition. In this way decreasing gradients are constructed, and these are followed by subsequent drops to...
-
A Perspective on Fast-SPICE Simulation Technology
PublikacjaThis chapter presents an introduction to the area of accelerated transistor-level (‘fast-SPICE’) simulation for automated verification and characterization of integrated circuits (ICs) from technologist’s perspective. It starts with outlining goals, expectations and typical usage models for fast-SPICE simulators, stressing how they differ from regular SPICE tools. It continues with presenting and classifying core technologies typically...
-
Two-state dynamics for replicating two-strand systems
PublikacjaDynamika dwustanowa została zastosowana do opisów układów dwuniciowych, analogicznych do DNA.
-
Technological capability dynamics through cluster organizations
PublikacjaPurpose – The purpose of the paper is to portrait how members of cluster organizations (COs) perceive the role of COs in enabling them to accumulate technological capability (TC) significant for their innovation. Design/methodology/approach – The authors report the findings from their qualitative study based on an analysis of four COs. The organizational inertia and absorptive capacity (AC) theories are the theoretical underpinning...
-
The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublikacjaA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
-
The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublikacjaSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
-
The effect of chitosan concentration and molecular weight on endotoxin content
Dane BadawczeThe dataset includes results to determine the effect of chitosan concentration and molecular weight on endotoxin content as well as the effect of purification methods. The endotoxin concentration was determined using the PyroGene Recombinant Factor C Endpoint Fluorescent Assay. Chitosan 0.6% in 0.1M glycolic acid from Chemat LMW, MMW, and HMW were used...
-
MACHINE DYNAMICS PROBLEMS
Czasopisma -
Grand Challenges on the Theory of Modeling and Simulation
PublikacjaModeling & Simulation (M&S) is used in many different fields and has made many significant contributions. As a field in its own right, there have been many advances in methodologies and technologies. In 2002 a workshop was held in Dagstuhl, Germany, to reflect on the grand challenges facing M&S. Ten years on, a series of M& S Grand Challenge activities are marking a decade of progress and are providing an opportunity to reflect...
-
Real-time simulation in non real-time environment
PublikacjaSimulation in real-time is a very useful tool because of didactical and practical benefits. Very important benefit of real-time simulation is a fact that operator’s decision can be taken into account in the same time scale as the real system would work. This enables construction of simulators, and opportunity to test control algorithms in Hardware in The Loop scheme using target industrial equipment. Professional real-time environments...
-
Cultural Dynamics
Czasopisma -
Structural Dynamics
Czasopisma -
Fluid Dynamics
Czasopisma -
ORGANIZATIONAL DYNAMICS
Czasopisma -
MACROECONOMIC DYNAMICS
Czasopisma -
Stochastics and Dynamics
Czasopisma -
Optimization of Hydrogen - Evolving Photochemical Molecular Devices
PublikacjaA molecular photocatalyst consisting of a RuII photocenter, a tetrapyridophenazine bridging ligand, and a PtX2 (X=Cl or I) moiety as the catalytic center functions as a stable system for light-driven hydrogen production. The catalytic activity of this photochemical molecular device (PMD) is significantly enhanced by exchanging the terminal chlorides at the Pt center for iodide ligands. Ultrafast transient absorption spectroscopy...
-
Systematic Management of Simulation State for Multi-Branch Simulations in Simulink
PublikacjaSystematic simulation is a technique related and motivated by the formal analysis of hybrid dynamic systems. It combines the exhaustive and conservative nature of traditional model checking with numerical simulation for providing efficient algorithms to manage simulations. Multi-branch simulation is the concept advancing simulation efficiency by reducing the number of state transitions. This paper introduces an approach to implement...
-
Utilizing pulse dynamics for non-invasive Raman spectroscopy of blood analytes
PublikacjaNon-invasive measurement methods offer great benefits in the field of medical diagnostics with molecular-specific techniques such as Raman spectroscopy which is increasingly being used for quantitative measurements of tissue biochemistry in vivo. However, some important challenges still remain for label-free optical spectroscopy to be incorporated into the clinical laboratory for routine testing. In particular, non-analyte-specific...
-
A compartment model of alveolar–capillary oxygen diffusion with ventilation–perfusion gradient and dynamics of air transport through the respiratory tract
PublikacjaThis paper presents a model of alveolar–capillary oxygen diffusion with dynamics of air transport through the respiratory tract. For this purpose electrical model representing the respiratory tract mechanics and differentia equations representing oxygen membrane diffusion are combined. Relevant thermodynamic relations describing the mass of oxygen transported into the human body are proposed as the connection between these models,...
-
Molecular Targets for Anticandidal Chemotherapy
PublikacjaA relatively small number of anticandidal chemotherapeutics used in clinical practice is at least in part consequence of a limited number of their molecular targets: ergosterol in the membrane, lanosterol demethylase, b(1!3) glucan synthase, and DNA/RNA biosynthesis. Much more potential novel targets have been revealed by the comparative genomic studies identifying essential genes unique for Candida albicans or resulted from recognition...
-
Simulation of the switched reluctance drive system
PublikacjaSwitched 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)....
-
Efficient parallel implementation of crowd simulation using a hybrid CPU+GPU high performance computing system
PublikacjaIn the paper we present a modern efficient parallel OpenMP+CUDA implementation of crowd simulation for hybrid CPU+GPU systems and demonstrate its higher performance over CPU-only and GPU-only implementations for several problem sizes including 10 000, 50 000, 100 000, 500 000 and 1 000 000 agents. We show how performance varies for various tile sizes and what CPU–GPU load balancing settings shall be preferred for various domain...
-
The surface photoconductivity in molecular layers
PublikacjaW pracy przedstawiono rezultaty analizy fotoprądów powierzchniowych w cienkich warstwach tetracenu i pentacenu. W szczególności badano wpływ obecności defektów strukturalnych w warstwach na charakterystyki fotoprądów i transport nośników ładunku.
-
Transmission protocol simulation framework for the resource-constrained sensor network
PublikacjaIn this paper the simulation framework for simulation of the sensor network protocol is presented. The framework enables the simultaneous development of the sensor network software and the protocol for the wireless data transmission. The advantage of using the framework is the convergence of the simulation with the real software, because the same software is used in real sensor network nodes and in the simulation framework. The...
-
Developing competences of IT project managers using simulation games
PublikacjaProject Management is a domain in which methodological approach is developing very rapidly. Project managers are required to present knowledge of the various methods of project management and apply them to the management of specific projects. It means that project managers must constantly develop their competence, mainly based on good practices from different formal methods of project management. The purpose of this article is...
-
Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublikacjaMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...
-
Systems Modeling and Simulation [WIMiO][2023/24]
Kursy Online -
Clinical Simulation in Nursing
Czasopisma -
Agent-based social network as a simulation of a market behaviour
PublikacjaRecent years and the outbreak of world's economic crisis in 2008 proved the crucial importance of reliable analysis of market dynamics. However, werarely apply models of proper detail level (the global prosperity forecast of 2007 can be seen as a grim proof). The behaviour of individuals and companies is far from being ideal and rational. Many claims that the economic paradigm of rational expectations (coming from J. Muth and R....
-
Power System Dynamics. Stability and Control. 3rd edition
PublikacjaComprehensive, state-of-the-art review of information on the electric power system dynamics and stability. It places the emphasis first on understanding the underlying physical principles before proceeding to more complex models and algorithms. The book explores the influence of classical sources of energy, wind farms and virtual power plants, power plants inertia and control strategy on power system stability. The book cover...
-
Numerical simulation of laminate composite specimens failure
PublikacjaThis work presents some numerical results concerning simulation of failure of laminate composite specimens. In the article two tests to determine ultimate strength in an orthotropic layer, are considered: tension (TT1) and compression (TC1) test. The outcome is compared with experimental data provided by [9,10].
-
Image simulation and annotation for color blinded
PublikacjaIn this paper methods for image simulation as seen by a color blinded and a method for constructing images of perceived color difference are presented. The work is also focused on the interactive color description of an image contents. As a result, the individuals having problems with color discrimination can identify colors in an image.W artykule prezentowane są metody symulacji kolorów w obrazach postrzeganych przez osoby ze...
-
Towards Scalable Simulation of Federated Learning
PublikacjaFederated learning (FL) allows to train models on decentralized data while maintaining data privacy, which unlocks the availability of large and diverse datasets for many practical applications. The ongoing development of aggregation algorithms, distribution architectures and software implementations aims for enabling federated setups employing thousands of distributed devices, selected from millions. Since the availability of...
-
MOLECULAR PHARMACEUTICS
Czasopisma -
Simulation model of IPMSM drive with rotor position estimator
PublikacjaThe paper presents a simulation model of electric drive consisting of: IPMSM motor, inverter and digital controller. The model was designed in Mathlab/Simulink. By modelling of the controller its discrete operation was taken into account in order to simulate precisely a specific sensorless control algorithm. A method for estimation of angular rotor position was proposed. Its mathematical algorithm was explained and errors were...