This open access book summarizes the research done and results obtained in the second funding phase of the Priority Program 1648 "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) presented at the SPPEXA Symposium in Dresden during October 21-23, 2019. In that respect, it both represents a continuation of Vol. 113 in Springer's series Lecture Notes in Computational Science and Engineering, the corresponding report of SPPEXA's first funding phase, and provides an overview of SPPEXA's contributions towards exascale computing in today's sumpercomputer technology. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.

Sparse grids are a popular tool for the numerical treatment of high-dimensional problems. Where classical numerical discretization schemes fail in more than three or four dimensions, sparse grids, in their different flavors, are frequently the method of choice. This volume of LNCSE presents selected papers from the proceedings of the fifth workshop on sparse grids and applications, and demonstrates once again the importance of this numerical discretization scheme. The articles present recent advances in the numerical analysis of sparse grids in connection with a range of applications including uncertainty quantification, plasma physics simulations, and computational chemistry, to name but a few.

This open access book summarizes the research done and results obtained in the second funding phase of the Priority Program 1648 "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) presented at the SPPEXA Symposium in Dresden during October 21-23, 2019. In that respect, it both represents a continuation of Vol. 113 in Springer's series Lecture Notes in Computational Science and Engineering, the corresponding report of SPPEXA's first funding phase, and provides an overview of SPPEXA's contributions towards exascale computing in today's sumpercomputer technology. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.

This book presents the latest findings and ongoing research in the field of environmental informatics. It addresses a wide range of cross-cutting activities, such as efficient computing, virtual reality, disruption management, big data, open science and the internet of things, and showcases how these green information & communication technologies (ICT) can be used to effectively address environmental and societal challenges. Presenting a selection of extended contributions to the 32nd edition of the International Conference EnviroInfo 2018, at the Leibniz Supercomputing Centre in Garching near Munich, it is essential reading for anyone looking to expand their expertise in the area.

This book presents the latest findings and ongoing research in the field of environmental informatics. It addresses a wide range of cross-cutting activities, such as efficient computing, virtual reality, disruption management, big data, open science and the internet of things, and showcases how these green information & communication technologies (ICT) can be used to effectively address environmental and societal challenges. Presenting a selection of extended contributions to the 32nd edition of the International Conference EnviroInfo 2018, at the Leibniz Supercomputing Centre in Garching near Munich, it is essential reading for anyone looking to expand their expertise in the area.

The research and its outcomes presented in this collection focus on various aspects of high-performance computing (HPC) software and its development which is confronted with various challenges as today's supercomputer technology heads towards exascale computing. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The collection thereby highlights pioneering research findings as well as innovative concepts in exascale software development that have been conducted under the umbrella of the priority programme "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) and that have been presented at the SPPEXA Symposium, Jan 25-27 2016, in Munich. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.

The research and its outcomes presented in this collection focus on various aspects of high-performance computing (HPC) software and its development which is confronted with various challenges as today's supercomputer technology heads towards exascale computing. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The collection thereby highlights pioneering research findings as well as innovative concepts in exascale software development that have been conducted under the umbrella of the priority programme "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) and that have been presented at the SPPEXA Symposium, Jan 25-27 2016, in Munich. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.

This proceedings volume collects review articles that summarize research conducted at the Munich Centre of Advanced Computing (MAC) from 2008 to 2012. The articles address the increasing gap between what should be possible in Computational Science and Engineering due to recent advances in algorithms, hardware, and networks, and what can actually be achieved in practice; they also examine novel computing architectures, where computation itself is a multifaceted process, with hardware awareness or ubiquitous parallelism due to many-core systems being just two of the challenges faced. Topics cover both the methodological aspects of advanced computing (algorithms, parallel computing, data exploration, software engineering) and cutting-edge applications from the fields of chemistry, the geosciences, civil and mechanical engineering, etc., reflecting the highly interdisciplinary nature of the Munich Centre of Advanced Computing.

Die Autoren führen auf anschauliche und systematische Weise in die mathematische und informatische Modellierung sowie in die Simulation als universelle Methodik ein. Es geht um Klassen von Modellen und um die Vielfalt an Beschreibungsarten. Aber es geht immer auch darum, wie aus Modellen konkrete Simulationsergebnisse gewonnen werden können. Nach einem kompakten Repetitorium zum benötigten mathematischen Apparat wird das Konzept anhand von Szenarien u. a. aus den Bereichen „Spielen – entscheiden – planen" und „Physik im Rechner" umgesetzt.

When the DFG (Deutsche Forschungsgemeinschaft) launched its collabora tive research centre or SFB (Sonderforschungsbereich) 438 "Mathematical Modelling, Simulation, and Verification in Material-Oriented Processes and Intelligent Systems" in July 1997 at the Technische Vniversitat Munchen and at the Vniversitat Augsburg, southern Bavaria got its second nucleus of the still young discipline scientific computing. Whereas the first and older one, FORTWIHR, the Bavarian Consortium for High Performance Scientific Com puting, had put its main emphasis on the supercomputing aspect, this new initiative was now expected to focus on the mathematical part. Consequently, throughout all of the five main research topics (A) adaptive materials and thin layers, (B) adaptive materials in medicine, (C) robotics, aeronautics, and automobile technology, (D) microstructured devices and systems, and (E) transport processes in flows, mathematical aspects play a predominant role. The formation of the SFB 438 and its scientific program are inextricably linked with the name of Karl-Heinz Hoffmann. As full professor for applied mathematics in Augsburg (1981-1991) and in Munchen (since 1992) and as dean of the faculty of mathematics at the TV Munchen, he was the driv ing force of this fascinating, but not always easy-to-realize idea of bringing together scientists from mathematics, physics, engineering, informatics, and medicine for joint efforts in modern applied mathematics. However, scarcely work had begun when the successful captain was called to take command on a bigger boat."

Die Autoren fuhren auf anschauliche und systematische Weise in die mathematische und informatische Modellierung sowie in die Simulation als universelle Methodik ein. Es geht um Klassen von Modellen und um die Vielfalt an Beschreibungsarten. Aber es geht immer auch darum, wie aus Modellen konkrete Simulationsergebnisse gewonnen werden konnen. Nach einem kompakten Repetitorium zum benotigten mathematischen Apparat wird das Konzept anhand von Szenarien u. a. aus den Bereichen Spielen entscheiden planen" und Physik im Rechner" umgesetzt."

This proceedings volume collects review articles that summarize research conducted at the Munich Centre of Advanced Computing (MAC) from 2008 to 2012. The articles address the increasing gap between what should be possible in Computational Science and Engineering due to recent advances in algorithms, hardware, and networks, and what can actually be achieved in practice; they also examine novel computing architectures, where computation itself is a multifaceted process, with hardware awareness or ubiquitous parallelism due to many-core systems being just two of the challenges faced. Topics cover both the methodological aspects of advanced computing (algorithms, parallel computing, data exploration, software engineering) and cutting-edge applications from the fields of chemistry, the geosciences, civil and mechanical engineering, etc., reflecting the highly interdisciplinary nature of the Munich Centre of Advanced Computing.

This volume in the series Lecture Notes in Computational Science and Engineering presents a collection of papers presented at the International Workshop on FSI, held in October 2005 in Hohenwart and organized by DFG's Research Unit 493 "FSI: Modeling, Simulation, and Optimization." The papers address partitioned and monolithic coupling approaches, methodical issues and applications, and discuss FSI from the mathematical, informatics, and engineering points of view.

Since the creation of the term "Scientific Computing" and of its German counterpart "Wissenschaftliches Rechnen" (whoever has to be blamed for that), scientists from outside the field have been confused about the some what strange distinction between scientific and non-scientific computations. And the insiders, i. e. those who are, at least, convinced of always comput ing in a very scientific way, are far from being happy with this summary of their daily work, even if further characterizations like "High Performance" or "Engineering" try to make things clearer - usually with very modest suc cess, however. Moreover, to increase the unfortunate confusion of terms, who knows the differences between "Computational Science and Engineering" , as indicated in the title of the series these proceedings were given the honour to be published in, and "Scientific and Engineering Computing", as chosen for the title of our book? Actually, though the protagonists of scientific com puting persist in its independence as a scientific discipline (and rightly so, of course), the ideas behind the term diverge wildly. Consequently, the variety of answers one can get to the question "What is scientific computing?" is really impressive and ranges from the (serious) "nothing else but numerical analysis" up to the more mocking "consuming as much CPU-time as possible on the most powerful number crunchers accessible" .

This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.

Dieses Buch gibt eine Einfuhrung in die mathematische und informatische Modellierung sowie in die Simulation als universelle Methodik. Und so geht es um Klassen von Modellen, um deren Herleitung und um die Vielfalt an Beschreibungsarten, die eingesetzt werden konnen diskret oder kontinuierlich, deterministisch oder stochastisch. Aber immer geht es auch darum, wie aus unterschiedlichen abstrakten Modellen ganz konkrete Simulationsergebnisse gewonnen werden konnen.
Nach einem kompakten Repetitorium zum benotigten mathematischen Apparat wird das Konzept Uber das Modell zur Simulation" anhand von 14 Szenarien aus den Bereichen Spielen entscheiden planen," Verkehr auf Highways und Datenhighways," Dynamische Systeme" sowie Physik im Rechner" umgesetzt. Ob Spieltheorie oder Finanzmathematik, Verkehr oder Regelung, ob Populationsdynamik oder Chaos, Molekulardynamik, Kontinuumsmechanik oder Computergraphik der Leser erhalt auf anschauliche und doch systematische Weise Einblicke in die Welt der Modelle und Simulationen."