CONTENTS

Invited papers 1

O. Axelsson, M. Nikolova:
On Generalized Conjugate Gradient Type Methods for the Iterative Solution of Nonsymmetric and/or Indefinite Systems of Equations; Some Specific Convergence Properties 3

D.A. Bini, B. Meini:
Solving Block Banded Block Toeplitz Systems with Structured Blocks: New Algorithms and Open Problems 15

R.D. Lazarov, J.E. Pasciak, P.S. Vassilevski:
Mixed Finite Element Methods for Elliptic Problems on Non-MatchingGrids 25

E.E. Tyrtyshnikov:
Mosaic Ranks for Weakly Semiseparable Matrices 36

Z. Zlatev:
Application of Special Sparse Solvers in the Chemical Part of Air Pollution Models 42

Structured matrix computations 55

M. van Barel, P. Kravanja:
On the Generically Superfast Computation of Hankel Determinants 57

A. Böttcher, S. Grudsky:
Eighteen Old and New Asymptotic Results on Toeplitz Band Matrices 65

D. Fasino:
Isospectral Flows for Displacement Structured Matrices 72

G. Heinig, K. Rost:
Representations of Inverses of Real Toeplitz-plus-Hankel Matrices Using Trigonometric Transformations 80

C.V.M. van der Mee, S. Seatzu, G. Rodriguez:
Solution Methods for Perturbed Semi-Infinite Linear Systems of Block-Toeplitz Type 87

S. Serra-Capizzano, C.T. Possio:
Preliminary Remarks on Preconditioning Strategies for 2D Collocation Linear Systems 94

P.Y. Yalamov:
Stability Results for phi-Circulant Computations 102

Matrices with sparsity structure 109

I. Arany:
Generating Some Separators of the Graph of a Sparse Symmetric Matrix 111

P. Arbenz:
Towards an Efficient Implementation of the Eigenstate Expansion Method for Quantum Molecular Dynamics Simulations 119

V. Baryamureeba, T. Steihaug:
Computational Issues for a New Class of Preconditioners 128

A. Brodnik, M. KovaŤ, ©. Malovrh:
Efficient Handling of Sparse Matrices in Animal Breeding 136

I.G. Ivanov, B.V. Mintchev:
A Method for Solving Special Circulant Pentadiagonal Linear Systems 144

F. Mazzia:
QMR and Selective Biorthogonalization 152

M. Mitrouli, P.Y. Yalamov:
Matrices with Sparsity Structure in Control Problems 162

Methods and algorithms for initial value problems and elliptic problems 169

T. Chernogorova, O. Iliev:
A 2nd Order Discretization of Imperfect Contact Problems With Piece-Wise Constant Coefficients on Cell-Centred Grids 171

D. Petcu:
The Potential for Distributed Computation in Large Initial Value Problems 180

T.D. Todorov, M.R. Racheva:
Two-Level Method for Isoparametric Problems 188

T.D. Todorov, M.R. Racheva:
Applications of a Two-Level Isoparametric Iterative Scheme for Solving Elliptic Problems 196

High-performance methods for convection diffusion and Navier-Stokes problems 205

O. Iliev, M. Schäfer:
A Numerical Study of the Efficiency of SIMPLE-Type Algorithms in Computing Incompressible Flows on Stretched Grids 207

V. John, G. Matthies, T.I. Mitkova, L. Tobiska, P.S. Vassilevski:
A Comparison of Three Solvers for the Incompressible Navier-Stokes Equations 215

P.D. Minev, C.R. Ethier:
A Semi-Implicit Projection Algorithm for the Navier-Stokes Equations with Application to Flows in Complex Geometries 223

M. Nikolova:
Error Indicators for Adaptive Refinement of Singularly Perturbed Convection-Diffusion Problems 232

Computations in image processing 241

F. di Benedetto:
Matrix Structures for Image Applications: Some Examples and Open Problems 243

M. Bertero, P. Boccacci, M. Robberto:
Image Restoration in Thermal Infrared Astronomy 250

A. Murli, M. Ceccarelli, L. D'Amore, V. de Simone:
Numerical Methods for Total Variation-Based Deblurring: a Comparison in a Parallel Environment 257

Large-scale computations in air pollution modelling 265

R. Dimitrova, K. Ganev:
Some Examples of the Mesoscale Topography Effects on Large Scale Air Pollution Transport 267

I. Dimov, Tz. Ostromsky, I. Tzvetanov, Z. Zlatev:
Economical Estimation of the Losses of Crops Due to High Ozone Levels 275

K. Georgiev, Z. Zlatev:
Some Numerical Experiments with the Parallel Version of the Two-Dimensional Danish Eulerian Model 283

C. Mensink:
Multiblock Domain Discretisation for Urban and Regional Scale Air Pollution Modelling 292

D. Syrakov:
Long-Term Calculation of Bulgarian Impact in Mercury Pollution Over South-East Europe 300

A. Tomlin, R. Lowe:
Low Dimensional Manifolds and Reduced Chemical Models for Air Pollution Simulations 309

Molecular modeling by high performance computational techniques 317

M. Aida, H. Yamataka, M. Dupuis:
Modeling of Reactivities of Organic Molecules by Means of Ab Initio MD Method 319

L. Gorb, J. Leszczynski:
Hydrogen Bomding and Tautomerism in Isolated and Hydrated DNA Bases 328

M. Raimondi, A. Famulari, E. Gianinetti, M. Sironi, F. Moroni:
Modification of Roothaan Equations for the Ab-Initio Calculation of Interactions in Large Molecular Systems in the Absence of Basis Set Superposition Error 335

High performance computing in geomechanics and flow simulation in porous media 345

R. Blaheta, O. Jakl, R. Kohut, J. Starý:
Iterative Displacement Decomposition Solvers for HPC in Geomechanics 347

B.V. Digas, V.I. Maksimov, L.A. Melnikova:
Parallel Algorithms for Inverse Problem of Lithosphere Structure Reconstruction 357

Z. KestÝánek:
H-version of the FEM for the Contact Problem in Elasticity 363

A. Mazzia, L. Bergamaschi, M. Putti:
Triangular Finite Volume-Mixed Finite Element Discretization for the Advection-Diffusion Equation 371

G. Å. Øye, H. Reme:
Parallelization of a Compositional Simulator 379

Large-scale computations for mechanical engineering problems 387

B.C. Chapman, V.V. Toropov, L.F. Alvarez:
Application of Advanced Optimization Techniques to Inverse Problems of Structural Mechanics 389

J.A. Denev, P. Stankov, F.M.B. Andersen:
Practical Aspects of the Application of the Discrete Transfer Method 399

D. Stoyanov, O. Iliev, P. Stankov:
On a Multigrid Solution of Some 3D Incompressible Flow Problems 406

G. Vatkova, S. Meynen, M. Schäfer:
Numerical Simulation of Fluid-Structure Interaction in Pipe Systems 414