Selected Papers from ICNAAM 2007 and ICCMSE 2007: Special Presentations at the International Conference on Numerical Analysis and Applied Mathematics 2007 held in Corfu, Greece on 16-20 September 2007

by Simos, Theodore E.; Maroulis, George; Psihoyios, George

• ISBN13: 9780735405745
• ISBN10: 0735405743
• Edition: 1st
• Format: Hardcover
• Copyright: 2008-11-25
• Publisher: AMER INST OF PHYSICS

Summary

All papers have been peer-reviewed. The 5th International Conference of Numerical Analysis and Applied Mathematics (ICNAAM 2007), Official Conference of the European Society of Computational Methods in Sciences and Engineering (ESCMSE), and the 5th International Conference on Computational Methods in Sciences and Engineering 2007 (ICCMSE 2007), Recognized Conference of the European Society of Computational Methods in Sciences and Engineering (ESCMSE) have both taken place at Hotel Marbella in Corfu, Greece between 16th and 20th September 2007 and 25th and 30th September 2007, respectively. We note that for ICCMSE there is a co-sponsorship by American Chemical Society. The aim of ICNAAM is to bring together leading scientists of the international Numerical and Applied Mathematics community and to attract original research papers of very high quality. 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. Based on the universality of mathematical reasoning the ICCMSE favors the interaction of various fields of Knowledge to the benefit of all. Emphasis is given to the multidisciplinary character of the Conference. The principal ambition of the ICCSME is to promote the exchange of novel ideas through the close interaction of research groups from all Sciences and Engineering. In this Volume, we present special contributions of these two Conferences which cover the aim and the scope of each of these events.

Table of Contents

Localized Multi-reference Approach for Mixed-Valence Systems	p. 3
Toward Accurate Modeling of Enzymatic Reactions: All Electron Quantum Chemical Analysis Combined with QM/MM Calculation of Chorismate Mutase	p. 7
Quantum Fluctuations of an OCS Molecule in Superfluid Helium-4 Clusters	p. 11
Spin State Dependence of Second Hyperpolarizabilities of Zethrenes	p. 15
Multireference Density Functional Study of Atomic and Molecular Magnetic Systems	p. 19
Modeling of Hydrogen Storage Materials: A Reactive Force Field for NaH	p. 23
Theoretical Calculations of the Characteristics of Precious Metal Clusters	p. 28
Charge Transport in Conjugated Materials: From Theoretical Models to Experimental Systems	p. 32
Modeling of Frenkel vs. CT Excitons - Solved and Unsolved Problems	p. 36
Calculation of Frequency-Dependent Polarizabilities and Hyperpolarizabilities Based on the Quasienergy Derivative Method (Is the Numerical Approach Impossible?)	p. 40
Chemical Events in Solution Phase - The View from Molecular Level Descriptions	p. 44
Quantal Cumulant Dynamics for Dissipative Systems	p. 48
Multi-scale Approach to the Design of Ferroelectric Liquid Crystals for NLO Applications	p. 52
Computation of the Reduction-Free Energy of Coenzyme in Water: A Novel Approach within the Framework of the QM/MM-ER Method	p. 56
A Theoretical Approach to a Novel Pathway of Proton Translocation of Cytochrome c Oxidase	p. 60
Theoretical Studies on Stable Structure and Noncollinear Magnetism of Aluminum Clusters	p. 64
Natural Orbital Analysis of Difference Density Matrix of Cyanide Fe(III) Porphyrins	p. 68
Algebras Generated by Geometric Scalar Forms and Their Applications in Physics and Social Sciences	p. 75
On Existence of Periodic Solutions for Certain Nonlinear Higher Order Autonomous Ordinary Differential Equations	p. 84
On tbe Nonmonotone Behavior of the Newton-Gmback Method	p. 87
Boid Based Timetable Generation	p. 91
Perspective Pose Estimation with Geometric Algebra	p. 95
On the Hyers-Ulam Stability of a Bi-Jensen Functional Equation	p. 99
Towards Analytic Solutions of Step-Wise Safe Switching for Known Affine-Linear Models	p. 102
A Mathematical Model for the Middle Ear Ventilation	p. 106
Numerical Analysis of Thermal Comfort at Open Air Spaces	p. 110
Quasi Monte Carlo Approach with Uniform Separation for Solving of the Rendering Equation	p. 114
Unsteady Boundary Layer Flow and Heat Transfer over a Stretching Sheet	p. 119
Parameter Depending Matuszewska-Orlicz Type Indices and Their Applications	p. 126
The Approximation of Value Function for Two Person Differential Games with Zero Sum	p. 130
The Construction of Lyapunov Function for the Input Systems of ODE Type	p. 133
A Different Type of Hardy-Hilbert's Integral Inequality	p. 135
Fast and Efficient Solution of Scattering Integral Equations	p. 142
A Metaheuristic Supervisory Scheme for Cooperative Manipulators	p. 146
Analysis of the Curvature Tensor from the Viewpoint of Signal Processing	p. 150
Periodic Solutions of 2D Nonlinear Wave Equations in Rectangle Domains	p. 154
Author Index	p. 159
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