Willi Jäger - Böcker

This proceedings volume highlights a selection of papers presented at the 7th International Conference on High Performance Scientific Computing, which took place in Hanoi, Vietnam, during March 19-23, 2018.

This proceedings volume highlights a selection of papers presented at the 7th International Conference on High Performance Scientific Computing, which took place in Hanoi, Vietnam, during March 19-23, 2018.

This volume contains 20 contributions to the 1st GAMM-Seminar at ICA Stuttgart, which was held in Stuttgart, October 12 - 13, 1995. In the field of environmental sciences, numerical procedures for the simulation of ecological problems are growing increasingly topical. The solution of typical problems in environmental research is closely connected with numerical supercomputing. The main subject of the seminar was the modeling and numerical simulation of ground water and soil water. Further topics were multi-scale modeling, special discretization schemes, adaptivity, multi-grid methods, heterogenity, parameter identification, homogenization, density driven groundwater flow, and coupling of transport and chemistry.

Ein gelungenes Beispiel für eine lebendige Zusammenarbeit mit unterschiedlichen Disziplinen wird mit der Restauration dieses wichtigen Kulturguts veranschaulicht: Das Heidelberger Exemplar eines Vaugondy Globus von 1751 hat eine wechselvolle Geschichte und wurde in jüngster Zeit mit hochmodernen Methoden aufwendig restauriert.Historische Quellen über die Art der Herstellung von Globen wurden ebenso zu Rate gezogen wie moderne mathematische Verfahren aus der Bildverarbeitung, mit denen die digitalisierte Weltkarte gefiltert wurde.In der Auseinandersetzung mit historischen Aspekten gelang darüber hinaus ein Einblick in die Bedeutung von Globen und das Entstehen eines neuen Weltbildes im 18. Jahrhundert, das mit den wissenschaftlichen Akademien einherging.

The articles in this volume summarize the research results obtained in the former SFB 359 "Reactive Flow, Diffusion and Transport" which has been supported by the DFG over the period 1993-2004. The main subjects are physical-chemical processes sharing the difficulty of interacting diffusion, transport and reaction which cannot be considered separately. Typical examples are the chemical processes in flow reactors and in the catalytic combustion at surfaces. Further examples are models of star formation including diffusive mass transport, energy radiation and dust formation and the polluting transport in soil and waters. For these complex processes mathematical models are established and numerically simulated. The modeling uses multiscale techniques for nonlinear differential equations while for the numerical simulation and optimization goal-oriented mesh and model adaptivity, multigrid techniques and advanced Newton-type methods are developed combined with parallelization. This modeling and simulation is accompanied by experiments.

The last two years have been great for high performance computing in Baden- W¨ urttemberg and beyond. In July 2005, the new building for HLRS as well as Stuttgart’s new NEC supercomputer – which is still leading edge in G- many – have been inaugurated. In these days, the SSC Karlsruhe is ?nalizing the installation of a very large high performance system complex from HP, built from hundreds of Intel Itanium processors and more than three th- sand AMD Opteron cores. Additionally, the fast network connection – with a bandwidth of 40Gbit/s and thus one of the ?rst installations of this kind in Germany – brings the machine rooms of HLRS and SSC Karlsruhe very close together. With the investment of more than 60 Million Euro, we – as the users of such a valuable infrastructure – are not only thankful to science managers and politicians, but also to the people running these components as part of their daily business, on a 24-7 level. Sinceabout18months,therearelotsofactivitiesonallscienti?c,advisory, and political levels to decide if Germany will install an even larger European supercomputer, where the hardware costs alone will be around 200 Million Euro for a ?ve year period. There are many good reasons to invest in such a program because – beyond the infrastructure – such a scienti?c research tool will attract the best brains to tackle the problems related to the software and methodology challenges.

These are the proceedings of the conference "Multiscale Problems in Science and Technology" held in Dubrovnik, Croatia, 3-9 September 2000. The objective of the conference was to bring together mathematicians working on multiscale techniques (homogenisation, singular pertubation) and specialists from the applied sciences who need these techniques and to discuss new challenges in this quickly developing field. The idea was that mathematicians could contribute to solving problems in the emerging applied disciplines usually overlooked by them and that specialists from applied sciences could pose new challenges for the multiscale problems. Topics of the conference were nonlinear partial differential equations and applied analysis, with direct applications to the modeling in material sciences, petroleum engineering and hydrodynamics.

In 1993, the Federal Ministry of Research and Education of the Federal - public of Germany (BMBF) started the ?rst of now ?ve periods of funding mathematics for industry and services. To date, its e?orts have supported approximately 280 projects investigating complex problems in industry and services.Whereasstandardproblemscanbe solvedusing standardmathem- ical methods and software o? the shelf, complex problems arising from e.g. industrial research and developments require advanced and innovative ma- ematical approaches and methods. Therefore, the BMBF funding programme focuses on the transfer of the latest developments in mathematical research to industrial applications. This initiative has proved to be highly successful in promoting mathematical modelling, simulation and optimization in science and technology. Substantial contributions to the solution of complex problems have been made in several areas of industry and services. Results from the ?rst funding period were published in "Mathematik - Schlusseltechnologie fur die Zukunft, Verbundprojekte zwischen Universitat und Industrie" (K.-H. Ho?mann, W. Jager, T. Lohmann, H. Schunck (E- tors),Springer1996).Thesecondpublication"Mathematics-KeyTechnology for the Future, Joint Projects between Universities and Industry" (W.Jager, H.-J. Krebs (Editors), Springer 2003) covered the period 1997 to 2000. Both books were out of print shortly after publication. This volume presents the results from the BMBF's fourth funding period (2004to2007)andcontainsasimilarspectrumofindustrialandmathematical problems as described in the previous publications, but with one additional new topic in the funding programme: risk management in ?nance and ins- ance. Othertopicscoveredaremathematicalmodellingandnumericalsimulation inmicroelectronics,thin?lms,biochemicalreactionsandtransport,comput- aided medicine, transport, tra?c and energy.

The last two years have been great for high performance computing in Baden- W¨ urttemberg and beyond. In July 2005, the new building for HLRS as well as Stuttgart’s new NEC supercomputer – which is still leading edge in G- many – have been inaugurated. In these days, the SSC Karlsruhe is ?nalizing the installation of a very large high performance system complex from HP, built from hundreds of Intel Itanium processors and more than three th- sand AMD Opteron cores. Additionally, the fast network connection – with a bandwidth of 40Gbit/s and thus one of the ?rst installations of this kind in Germany – brings the machine rooms of HLRS and SSC Karlsruhe very close together. With the investment of more than 60 Million Euro, we – as the users of such a valuable infrastructure – are not only thankful to science managers and politicians, but also to the people running these components as part of their daily business, on a 24-7 level. Sinceabout18months,therearelotsofactivitiesonallscienti?c,advisory, and political levels to decide if Germany will install an even larger European supercomputer, where the hardware costs alone will be around 200 Million Euro for a ?ve year period. There are many good reasons to invest in such a program because – beyond the infrastructure – such a scienti?c research tool will attract the best brains to tackle the problems related to the software and methodology challenges.

In 1993, the Federal Ministry of Research and Education of the Federal - public of Germany (BMBF) started the ?rst of now ?ve periods of funding mathematics for industry and services. To date, its e?orts have supported approximately 280 projects investigating complex problems in industry and services.Whereasstandardproblemscanbe solvedusing standardmathem- ical methods and software o? the shelf, complex problems arising from e.g. industrial research and developments require advanced and innovative ma- ematical approaches and methods. Therefore, the BMBF funding programme focuses on the transfer of the latest developments in mathematical research to industrial applications. This initiative has proved to be highly successful in promoting mathematical modelling, simulation and optimization in science and technology. Substantial contributions to the solution of complex problems have been made in several areas of industry and services. Results from the ?rst funding period were published in "Mathematik - Schlusseltechnologie fur die Zukunft, Verbundprojekte zwischen Universitat und Industrie" (K.-H. Ho?mann, W. Jager, T. Lohmann, H. Schunck (E- tors),Springer1996).Thesecondpublication"Mathematics-KeyTechnology for the Future, Joint Projects between Universities and Industry" (W.Jager, H.-J. Krebs (Editors), Springer 2003) covered the period 1997 to 2000. Both books were out of print shortly after publication. This volume presents the results from the BMBF's fourth funding period (2004to2007)andcontainsasimilarspectrumofindustrialandmathematical problems as described in the previous publications, but with one additional new topic in the funding programme: risk management in ?nance and ins- ance. Othertopicscoveredaremathematicalmodellingandnumericalsimulation inmicroelectronics,thin?lms,biochemicalreactionsandtransport,comput- aided medicine, transport, tra?c and energy.

The sheer computing power of modern information technology is changing the face of research not just in science, technology and mathematics, but in humanities and cultural studies too. Recent decades have seen a major shift both in attitudes and deployment of computers, which are now vital and highly effective tools in disciplines where they were once viewed as elaborate typewriters. This revealing volume details the vast array of computing applications that researchers in the humanities now have recourse to, including the dissemination of scholarly information through virtual ‘co-laboratories’, data retrieval, and the modeling of complex processes that contribute to our natural and cultural heritage. One key area covered in this book is the versatility of computers in presenting images and graphics, which is transforming the analysis of data sets and archaeological reconstructions alike. The papers published here are grouped into three broad categories that cover mathematical and computational methods, research developments in information systems, and a detailed portrayal of ongoing work on documenting, restoring and presenting cultural monuments including the temples in Pompeii and the Banteay Chhmar temples of the Angkorian period in present-day Cambodia. Originally presented at a research workshop in Heidelberg, Germany, they reflect the rapidly developing identity of computational humanities as an interdisciplinary field in its own right, as well as demonstrating the breadth of perspectives in this young and vibrant research area.

This judicious selection of articles combines mathematical and numerical methods to apply parameter estimation and optimum experimental design in a range of contexts. These include fields as diverse as biology, medicine, chemistry, environmental physics, image processing and computer vision. The material chosen was presented at a multidisciplinary workshop on parameter estimation held in 2009 in Heidelberg. The contributions show how indispensable efficient methods of applied mathematics and computer-based modeling can be to enhancing the quality of interdisciplinary research. The use of scientific computing to model, simulate, and optimize complex processes has become a standard methodology in many scientific fields, as well as in industry. Demonstrating that the use of state-of-the-art optimization techniques in a number of research areas has much potential for improvement, this book provides advanced numerical methods and the very latest results for the applications under consideration.

This judicious selection of articles combines mathematical and numerical methods to apply parameter estimation and optimum experimental design in a range of contexts.

Prof. Dr. Egon Krause Aerodynamisches Institut RWTH Aachen Wullnerstr. zw. 5 u. 7, D-52062 Aachen Prof. Dr. Willi Jager Interdisziplinares Zentrum fur Wissenschaftliches Rechnen Universitat Heidelberg 1m Neuenheimer Feld 368, D-69120 Heidelberg Prof. Dr. Michael Resch Hi::ichstleistungsrechenzentrum Stuttgart Allmandring 30, D-70550 Stuttgart The High-Performance Computing Center Stuttgart (HLRS) underwent dra- matic changes during the last year. At the beginning of 2003 the Center was separated from the Computing Center of Stuttgart University and turned into an independent central unit of Stuttgart University. Last March the Land Baden-Wurttemberg shaped up her strategy of cooperation and formed of a new Center of Competence in High-Performance Computing in Baden- Wurttemberg by aS80ciating HLR Stuttgart with the SSC Karlsruhe. At the present time the HLRS is preparing its decision for a new computer system to be planned to be operative in 2005. A safe decision is difficult to arrive at since the offers of the vendors of high-performance computers are continuously and rather rapidly changing. At the lower end the microprocessor based systems are attacked by clusters ofPCs.The superior price-performance VI Preface ratio makes such rather inexpensive systems attractive for a variety of appli- cations, most of which are latency bound. At the upper end microprocessor based systems are pressured by vector-based systems. The latter have seen a revival nourishing on the success and political impact of the earth simulator project.

This volume summarizes the state of the art in supercomputing, with special emphasis on the industrial relevance of the presented results and methods. The book showcases an innovative usage of state-of-the-art modeling, novel numerical algorithms and the use of leading-edge high-performance computing systems in a GRID-like environment.

Efficient transfer between science and society is crucial for their future development. The rapid progress of information technology and computer systems offers a large potential and new perspectives for solving complex problems. Mathematical modelling and simulation have become important tools not only in scientific investigations but also in analysing, planning and controlling technological and economic processes. Mathematics, imbedded in an interdisciplinary concept, has become a key technology. The book covers the results of a variety of major projects in industrial mathematics following an initiative of the German Federal Ministry of Education and Research. All projects are collaborations of industrial companies and university-based researchers, and range from automotive industry to computer technology and medical visualisation. In general, the projects presented in this volume prove that new mathematical ideas and methods can be decisive for the solution of industrial and economic problems.

The book contains reports about the most significant projects from science and industry that are using the supercomputers of the Federal High Performance Computing Center Stuttgart (HLRS). These projects are from different scientific disciplines, with a focus on engineering, physics and chemistry. They were carefully selected in a peer-review process and are showcases for an innovative combination of state-of-the-art physical modeling, novel algorithms and the use of leading-edge parallel computer technology. As HLRS is in close cooperation with industrial companies, special emphasis has been put on the industrial relevance of results and methods.

Prof. Dr. Egon Krause Aerodynamisches Institut RWTH Aachen Wullnerstr. zw. 5 u. 7, D-52062 Aachen Jager Prof. Dr. Willi Interdiszipliniires Zentrum fur Wissenschaftliches Rechnen Universitiit Heidelberg 1m Neuenheimer Feld 368, D-69120 Heidelberg The Fifth Results and Review Workshop on High Performance Computing in Science and Engineering was held at the High Performance Computing Center Stuttgart (HLRS) September 30th - October 1st, 2002. 40 projects processed at the HLRS and at the Scientific Supercomputing Center Karl- sruhe (SSC) were selected for presentation at the workshop and, after an internal review, prepared for publication in this fifth volume of the trans- actions of the HLRS. The results reported were obtained during the time after the last workshop in October 2001.The projects were initiated at the universities in Aachen, Bayreuth, Belfast, Berlin, Bielefeld, Braunschweig, Cottbus, Darmstadt, Erlangen-Nurnberg, Essen, Freiburg, Gottingen, Greif- swald, Halle-Wittenberg, Hamburg-Harburg, Heidelberg, Hohenheim, J ena, Karlsruhe, Kiel, Konstanz, Mainz, Marburg, Montpellier, Munchen, Munster, Rome, the Saarland, Salzburg, Stuttgart, Tubingen, Ulm, Worcester, Wurz- burg, and Zurich. Several projects are carried out in cooperation with insti- tutes of the Max Planck Society in Stuttgart, the German Research Center of Aero- and Astronautics in Braunschweig and Stuttgart, the Geo-Research Center in Potsdam, the Los Alamos National Laboratory, the Alfred-Wegener Institute of Polar and Maritime Research, and the Research Center Karlsruhe.

Der vorliegende Band vermittelt einen aktuellen Einblick in fünfzig Verbundprojekte zwischen Hochschulinstituten und Industrieunternehmen, die gefördert werden durch das Bundesministrium für Bildung, Wissenschaft, Forschung und Technologie. Die vorliegenden Artikel entstanden auf der Grundlage von Vorträgen, die anläßlich des BMBF-Statusseminars im Oktober 1995 in München gehalten wurden. Sie beschreiben sowohl die grundlegenden mathematischen Fortschritte, als auch die Ansätze zur Lösung konkreter Anwenderprobleme. Deren Spektrum reicht von der Bildverarbeitung über chemische Reaktionen, Computertomographie, Fahrzeugdynamik, Muster- und Strukturerkennung, Prozeßsteuerung und Roboter in der industriellen Praxis bis hin zu Strömungsvorgängen und Verkehrsführungssystemen.

Chemical reaction systems of practical interest are usually very complex: They consist of a large number of elementary reactions (hundreds or thou­ sands in a small system), mostly with rate coefficients differing by many orders of magnitude, which leads to serious stiffness, and they are often coupled with surface reaction steps and convective or diffusive processes. Thus, the derivation of a "true" chemical mechanism can be extremely cumbersome. In most cases this is done by setting up "reaction models" which are improved step by step using, for example, perturbation theory, numerical simulation and sensitivity analysis (and - hopefully, in the near future - parameter identification procedures), and by comparison with experimental data on sensitive properties. Because of the complexity of these processes, it was very difficult in the past to convince engineers to apply methods using detailed mecha­ nisms given in terms of elementary reactions, and even in basic sciences there was scepticism about this ambitious aim. A previous workshop on modelling of chemical reaction systems held in 1980 was an attempt to find a common language of mathematicians, chemists, and engineers working in this interdisciplinary area. Since then considerable progress has been made by the simultaneous development of applied mathematics, an enor­ mous increase of computer capacity, and the development of experimental techniques in physical chemistry that have made available well-working reaction mechanisms in some fields of reaction kinetics.

The modeling uses multiscale techniques for nonlinear differential equations while for the numerical simulation and optimization goal-oriented mesh and model adaptivity, multigrid techniques and advanced Newton-type methods are developed combined with parallelization.