This volume brings together selected contributed papers presented at the International Conference of Computational Methods in Science and Engineering (ICCMSE 2005), held in Greece, 21 – 26 October 2005. The conference aims to bring together computational scientists from several disciplines in order to share methods and ideas. The ICCMSE is unique in its kind. It regroups original contributions from all fields of the traditional Sciences, Mathematics, Physics, Chemistry, Biology, Medicine and all branches of Engineering. It would be perhaps more appropriate to define the ICCMSE as a conference on computational science and its applications to science and engineering. Topics of general interest are: Computational Mathematics, Theoretical Physics and Theoretical Chemistry. Computational Engineering and Mechanics, Computational Biology and Medicine, Computational Geosciences and Meteorology, Computational Economics and Finance, Scientific Computation. High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Numerical Algorithms, Modelling and Simulation of Complex System, Web-based Simulation and Computing, Grid-based Simulation and Computing, Fuzzy Logic, Hybrid Computational Methods, Data Mining, Information Retrieval and Virtual Reality, Reliable Computing, Image Processing, Computational Science and Education etc. More than 800 extended abstracts have been submitted for consideration for presentation in ICCMSE 2005. From these 500 have been selected after international peer review by at least two independent reviewers.

Table of Contents:
P. Acebal, L. Carretero, S. Blaya, R.F. Madrigal, A. Murciano, A. Fimia - Simulation of Diffraction Efficiency in Oriented Bacteriorhodopsin Films -- /Jaemin Ahn, Chung-Ki Cho, Sungkwon Kang - An Efficient Estimation Scheme for the Space Dependent Dispersion of a Solute Transport Equation -- /Jaemin Ahn, Sungkwon Kang, YongHoon Kwon -- /A Fast Laplace Transform Finite Difference Scheme for the Black-Scholes Equation -- /B. Akay - -- /Adaptive Model Based Control of Optimized Bioprocess Temperature -- /A. R. Alyyan, M. A. Lahham, M. S. Ami, A. M. O’kool and S. A. Al-Jufout - Immittance Matrix Partition by Hypothetical Capacitor -- /Ana M. Amado, Sonia Fiuza, J.C. Otero, M. Paula M. Marques and Luis A.E. Batista de Carvalho - Theoretical Studies on Solid a,o>-Diamine Salts -- /Sergio R. Aragon and David K Hahn - Polarizability and Capacitance of Platonic solids and Kerr constant of Proteins -- /Ioannis Argyropaidas, Evan Mitsoulis, Georgios Georgiou - Flow Cessation of Viscoplastic Fluids in Poiseuille Flows -- /F. Arickx, J. Broeckhove, K Vanmechelen, P. Hellinckx, V Vasilevsky - Quantum Nuclear Scattering calculations on the BEgrid -- /M. Arshad, Taj M. Khan, Dr. M. A. Choudhry - A New Approach of Dynamics Model -- /L. Balas and A. Inan - Three Dimensional Modelling of Turbulence -- /P. Barragan, L. F. Errea, L. Fernandez, A. Macias, L. Mendez, I. Rabadan and A. Riera - Sign-consistent ab initio Molecular Wave Functions -- /N. A. Baykara and M. Demiralp - Fluctuation Expansion in the Quantum Optimal Control of One Dimensional Perturbed Harmonic Oscillator -- /L. Bay on, J.M. Grau, M.M. Ruiz, P.M. Suarez - A Constrained and Nonsmooth Hydrothermal Problem -- /Monique BECKER, Alexandre DELYE de CLAUZADE de MAZIEUX, Vincent GAUTHIER, MichelMAROT - Cross-layer Simulations for Performance Evaluation of Self-organized Wireless Networks -- /S.Benkner, L. Halada, M.Luckaand I. Melichercik - Tuning a Portfolio Management Model on Historical Data using a Parallel Three-Stage Stochastic Programming Model -- /Mario N. Berberan-Santos - -- /Inverse Laplace transforms of luminescence relaxation functions -- /D.S. Bezrukov, Yu. V. Novakovskaya, A. Back, G. Nyman - Calculation of Vibrational Levels of Three-Atomic Molecules in the Ground Rotational State on Example of NO 2 -- /Trygve Buanes, Bjorn Kvamme, Atle Svandal - Two Approaches for Modelling Hydrate Growth -- /X. Cai and F. Liu - An Implicit Finite Difference Scheme for Simulating the Space Fractional-order Riesz Diffusion Processes -- /M Chalaris, J. Samios - Statistical Mechanical Study of Dimethyl-Sulfoxide/Water Eutectic Mixture by Molecular Dynamics Simulation -- /K. B. Chang, I. J. Shim and G. T. Park - Adaptive Repetitive Control for an Eccentricity Compensation of Optical Disk Drivers -- /Kyungbae Chang, Iljoo Shim and Gwitae Park - Intelligent Building Network System Integration using TCP/IP -- /Kyungbae Chang, Iljoo Shim and Gwitae Park - DSCM (Dual Switching Control Module) Design to Heighten Reliability of System -- /Kyungbae Chang and Gwitae Park - Performance Evaluation of the Smart Airbag ECU -- /P. K Chattaraj, U. Sarkar, D. R. Roy, R. Parthasarathi, J. Padmanabhan, V. Subramanian - Global and Local Electrophilicities as Descriptors of Toxicity -- /Chung-Ki Cho, Sungkwon Kang, YongHoon Kwon - Estimation of Spatially Varying Diffusivity in an Infiltration Problem -- /Muhammad Ahmad Choudhry, Wazir Zada, Aamir Hanif and Tahir Mehmood - A Simplistic Technique to Optimize Reactive Power Management in the Electrical Installation for Ensuring Maximum Savings and Reducing Cost of Electricity Consumed -- /A.P.L. Cipollini - An Elementary Speculative Strategy in the case of Informations about the Future Behaviour of the Market -- /F. Costabile, A. Napoli - A Mathematica package for the solution of ordinary differential equations using Taylor series method -- /Manuel Urbano Cuadrado, Irene Luque Ruiz, Gonzalo Cerruela Garcia, Miguel Angel Gomez-Nieto - A New Quantitative Structure-Property Relationship (QPRS) Model based on Topological Distances of Non-Isomorphic Subgraphs -- /J. Czernek - A MP2 Study of Low Energy Structures of the Fluorobenzene Dimer -- /A. Delavarkhalafi - Computation of Switching Surfaces using Grobner Basis -- /M. Demiralp - Determination of Quantum Expectation Values Via Fluctuation Expansion -- /G. Dezso, I. Balint, I Gyemant - Structure analysis of second order reduced density matrix expanded in geminal basis -- /J. J. del Coz Diaz, J.A. Gonzalez Perez and P.J. Garcia Nieto - Numerical analysis of pressure field on curved self-weighted metallic roofs due to wind effect by the Finite Volume Method -- /J. J. del Coz Diaz, P. J. Garcia Nieto, J. A. Vilan Vildn, A. Martin Rodriguez and A. Lozano Martinez-Luengas - -- /Non-linear buckling analysis of a self-weighted metallic roof by the finite element method -- /Karl F. Doerner, Richard F. Hartl and M.Lucka - Cooperative Ant Colonies Solve the Vehicle Routing Problem -- /Denis Donnelly - A Perspective on Computational Science and Its Status in Academia -- /C.A. Dorao, H.A. Jakobsen - Time-Space Least-Squares Spectral Element Method for Population Balance Equations -- /I. Dorta, C. Leon - MPI and JavaRMI Skeletons for the Branch-and-Bound Technique -- /Stefan Emet - An Approach for Simultaneous Structure Determination and Parameter Estimation Using MINLP Techniques -- /N. Fallah - Using Shape Function in Cell Centred Finite Volume Formulation for Two Dimensional Stress Analysis -- /N. Fallah - A New Approach in Cell Centred Finite Volume Formulation for Plate Bending Analysis -- /Sonia Fiuza, Ana M Amado, Luis A.E. Batista de Carvalho and M. Paula M. Marques - Performance of Different DFT/ECP Combinations in the Study of Platinum Anticancer Drugs -- /M. Franchin and E. Smargiassi - The Sound of a Different Bell: Density Functional Theory as a Tool for the Study of Classical Liquids -- /E. Francomano, C. Macaluso, A. Tortorici, E. Toscano - An Advanced Numerical Method for Recovering Image Velocity Vectors Field -- /S. B. Gashkov, I .B.Gashkov - Remark on Testing Irreducibility of Polynomials over Finite Fields -- /Aamir Hanif, M. A. Choudhry and Tahir Mehmood - A Generic Design of Ladder Algorithm for Automation of Backwash Water Treatment Plant -- /Thomas M. Henderson - Embedding Wave Function Theory in Density Functional Theory -- /C.H. Huang, H.L Li - Convexification Strategies for Solving the Nonlinear Sum of Ratios Problem -- /N. Ikeda - Information Theoretical Analysis of Diagrams Represented by Cutting Segments -- /A. Amat, J. Rigau, R. W. Waynant, L K I lev andJ. J. Anders - Adenosine Triphosphate ATP, a Cellular Key Molecule, is Affected by NonResonant Optical Frequencies -- /E. Barkanov, W. Hufenbach and L. Kroll - Systems with Combined Damping: Finite Element Modelling and Dynamic Analysis -- /E. Barkanov, A. Chate, E. Skukis and T. Gosch Optimal - Design of Large Wheel Loaded Vehicle Decks -- /A. Garrido - Heuristic Functions, Primitive Recursion and Recursivity -- /Y. Onur Devres, Kenan Giirsoy - Prediction of thawing time of frozen foodstuffs with a one dimensional finite difference model -- /A. Galani, P. Neofytou, A. Venelsanos, J. Bartzis, S. Neville - Prediction and Study of Passive Pollutant Dispersion in a Street-Canyon in London Using Computational Fluid Dynamics Techniques -- /M. K. Ginalski, A. J. Nowak, L. C. Wrobel - Combined heat and fluid flow in a double wall infant incubator -- /Kenan Giirsoy, Y. Onur Devres - The effect of process parameters on thawing time of frozen foodstuffs with a one dimensional finite difference model -- /Saeed Jameh-Bozorghi, Davood Nori-Shargh, Romina Shakibazadeh and Farzad Deyhimi - DFT Study and NBO (Natural Bond Orbital) Analysis of the Mutual Interconversion of Cumulene Compounds -- /Soon Suck Jarng, You Jung Kwon, JeHyoungLee - Digital Hearing Aid DSP Chip Parameter Fitting Optimization -- /JIANG Hong-Yan, LIN Ya-Ping, HUANG Sheng-Ye, LIUXiao-Fan - Model and Algorithm Research for Seeking Efficient Monitor-Nodes Measuring Network Traffic -- /Z Kalogiratou, Th. Monovasilis, T. E. Simos - Numerical Solution of the two-dimensional time independent Schrddinger Equat