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    Home of the Computational Sciences Laboratory

    A few words about us

       

    Welcome to the official page of the Computational Sciences Laboratory (UCY-CompSci). UCY-CompSci was established as a Marie Curie Transfer of Knowledge Center (TOK-DEV) aiming at the promotion of Computational Science and Engineering and is operated by the Engineering School at the University of Cyprus (UCY-Eng) under the leadership of Prof. Stavros Kassinos.

    UCY-CompSci provides a multi-disciplinary research core aiming at the promotion of excellence in a range of computational science and engineering themes that support the research activities of the School of Engineering, such as Complex Fluid and Plasma Flow, Molecular Dynamics and Ab Initio MD Simulations for Nanofluidics and Plasma-Wall Interactions, Multi-Phase Flows and Pollutant Dispersion, Biomedical Fluid Dynamics, and Turbulence Theory, Modeling  and Simulation.

    UCY-CompSci operates a number of parallel computing systems that are  described in detail under the Laboratory Infrastructure link. These systems provide an overall computing power of roughly 2.5 Teraflops. 

    This site provides information about the structure of the research and training activities of UCY-CompSci, provides information and job application material for prospective fellows, and highlights important research results and activities.

    Particle tracking in the human lung

    UCY-CompSci is developing a numerical simulation methodology for high-fidelity modeling of aerosol deposition in the human respiratory system [HEXACOMM and MP1404 - SimInhale]. We carry out Large-Eddy Simulations (LES) and Reynolds-Averaged Navier-Stokes (RANS) simulations of particle laden turbulent flow during the respiratory cycle. Simulations are based on a highly-scalable Navier-Stokes solver and are carried out on a High-Performance Computing (HPC) facility featuring over 1000 computing cores that is available at UCY-CompSci.

    Water quality measurements in Kouris dam

        As part of an ongoing collaboration with the International Water Research Center - NIREAS  and the Water Development Department of the Ministry of Agriculture, Natural Resources and Environment of the Republic of Cyprus, we are validating a model for the prediction of evaporative losses and of the fate of pollutants and contaminants entering the Kouris Dam. For this purpose key parameters, such as water temperature, dissolved oxygen concentration, pH etc. are monitored on a monthly basis.

    A new CFD-based deep lung model

        The model was created in order to enable estimates of deposition of drug particles over complete inhalation cycles. It provides deposition estimates in the deep lung (bronchial generations > 10) and the acinar regions.The predictions of the new model are shown to be aligned with those of traditional 1D models (NCRP), but it has the advantage of being able to provide a much more detailed view of deposition in the deep lung and of being easily customizable. This is the result of a collaboration with the Technion Biofluids Lab (Prof. Sznitman) under the auspices of COST Action MP1404-SimInhale

    Factors determining mouth-throat deposition: a closer look

      An unacceptably high portion of inhaled drugs targetting the lungs is actually deposited in the mouth-throat region where, at best it is just wasted, and in the worst case it could have adverse effects. Using high-fiedlity simulations, we are currently carrying out a systematic study of morphological and patient-controlled factors that determine the degree of mouth-throat deposition that takes place under various inhalation scenarios.
     

    Transport in ciliated boundary layers in the lung 

     

    In collaboration with the teams of Prof. Alessio Alexiades (U. of Birmingham) and Prof. Sitaram Velaga (Luleå University of Technology) we have been looking at mass transfer though boundary layers containing motile cilia in the lung.

    The idea is to understand the main mechanisms of mass transport occurring during drug absorption or exposure to environmental agents in a ciliated layer. The effect of drug diffusivity, cilia beat frequency and cilia flexibility is studied. Our results show the existence of three mass transfer regimes. A low frequency regime, which we called shielding regime, where the presence of the cilia hinders mass transport; an intermediate frequency regime, which we have called diffusive regime, where diffusion is the controlling mechanism; and a high frequency regime, which we have called convective regime, where the degree of bending of the cilia seems to be the most important factor controlling mass transfer in the ciliated-layer. Since the flexibility of the cilia and the frequency of the beat changes with age and health conditions, the knowledge of these three regimes allows prediction of how mass transfer, and ultimately drug absorption, varies with these factors. 


     

    A Special Issue of the EJPS dedicated to SimInhale  

     

    The February 15, 2018 issue of the European Journal of Pharmaceutical Sciences (EJPS) is dedicated to COST Action MP1404 - SimInhale. 

    The special issue reflects the spirit of the COST Action itself, in the sense that it brings under a common roof a collection of papers that address different aspects of the current state of the art in this complex and fascinating field. The special issue hosts a total of 14 papers. About a third of the papers are critical reviews, while the rest are original research papers.

    Click here to read the issue at the EJPS-Elsevier Site

     
    Latest Publications
    P.G. Koullapis, L.Nicolaou and S.C. Kassinos
    Journal of Aerosol Science (2018)
    M. Ariane, S.C. Kassinos, S. Velaga and A. Alexiadis
    Computers in Biology and Medicine (2018)
    F.S. Stylianou and S.C. Kassinos
    International Journal of Heat and Fluid Flow (accepted for publication) (2017)
    Frantisek Lizal et al.
    European Journal of Pharmaceutical Sciences (2017)
    P.G. Koullapis, P. Hofemeier, J. Sznitman, S.C. Kassinos
    European Journal of Pharmaceutical Sciences (2017)
    Shachar-Berman L, Ostrovski Y, Kassinos SC and Sznitman J.
    European Journal of Pharmaceutical Sciences (2017)
    C. Panagiotou, S.C. Kassinos* and D. Grigoriadis
    in Progress in Wall Turbulence 2, ERCOFTAC Series, Springer (2016)
    F. Stylianou, J. Sznitman and S.C. Kassinos
    International Journal of Heat and Fluid Flow [OPEN ACCESS] (Elsevier) (2016)
    F.S. Stylianou, R. Pecnik and S.C. Kassinos
    Computers and Fluids [OPEN ACCESS] (Elsevier) (2016)
    C. Panagiotou and S. C. Kassinos
    International Journal of Heat and Fluid Flow [open access, in press] (2016)
    F. Stylianou, R. Pecnik, S. Kassinos
    Computers & Fluids 106 (2015): 54-66, doi: http://dx.doi.org/10.1016/j.compfluid.2014.09.042 (13 pages) (2015)
    C.F. Panagiotou, S.C. Kassinos and B. Aupoix
    International Journal of Heat and Fluid Flow, pp. 111-128 (2015)
    N. Kanaris, S.C. Kassinos, A.N. Alexandrou
    IJHFF (2015), http://dx.doi.org/10.1016/j.ijheatfluidflow.2015.05.008 (2015)
    H. Radhakrishnan, D.W. I. Rouson, K. Morris S. Shende, S. C. Kassinos
    Scientific Programming Volume 2015 (2015), Article ID 904983, 12 pages (2015)
    C. Panagiotou and S. C. Kassinos
    International Journal of Heat and Fluid Flow Volume 57, Pages 109–129, 2016 (2015)
    P.G. Koullapis, S.C. Kassinos (*), M. Bivolarova and A.K. Melikov
    J. Biomechanics (accepted for publication) [OPEN ACCESS] (2015)
    C. Panagiotou, S. Kassinos
    6th European Conference on Computational Fluid Dynamics (ECFD VI), Barcelona, Spain (2014)