Kategoria BISAC: Science >> Chemistry - Computational & Molecular Modeling

This book contains papers presented at the fifth and sixth Teraflop Workshop. It presents the state-of-the-art in high performance computing and simulation on modern supercomputer architectures. It covers trends in hardware and software development in general and specifically the future of vector-based systems and heterogeneous architectures. It covers computational fluid dynamics, fluid-structure interaction, physics, chemistry, astrophysics, and climate research.

This volume of High Performance Computing in Science and Engineering is fully dedicated to the final report of KONWIHR, the Bavarian Competence Network for Technical and Scientific High Performance Computing. It includes the transactions of the final KONWIHR workshop, that was held at Technische Universitat Munchen, October 14-15, 2004, as well as additional reports of KONWIHR research groups. KONWIHR was established by the Bavarian State Government in order to support the broad application of high performance computing in science and technology throughout the country. KONWIHR is a...

Dieses einzigartige Lehrbuch stellt die Grundlagen der chemischen Thermodynamik knapp und prazise aber auch lesbar und gut verstandlich dar. Uber 400 Fragen und Aufgaben, z. B. zu idealen und realen Gasen, homogenen und heterogenen chemischen Gleichgewichtsreaktionen sowie Phasengleichgewichten und zur Bioenergetik, dienen den Studierenden als umfassendes Lern- und Ubungsmaterial.

• Lehr- und Ubungsbuch fur alle Studierende die den Kurs Chemische Thermodynamik absolvieren
• prazise und lesbare Grundlagen der Thermodynamik
• uber 400 Fragen und Aufgaben mit...

This book presents design guidelines and implementation approaches for enterprise safety management system as integrated within enterprise integrated systems. It shows new model-based safety management where process design automation is integrated with enterprise business functions and components. It proposes new system engineering approach addressed to new generation chemical industry. It will help both the undergraduate and professional readers to build basic knowledge about issues and problems of designing practical enterprise safety management system, while presenting in clear way, the...

Diese Einfuhrung in die Numerische Mathematik behandelt die Themenbereiche Rechengenauigkeit, lineare Gleichungssysteme, Interpolation, Integration, Fouriertransformation, Nullstellenbestimmung sowie gewohnliche und partielle Differentialgleichungen sehr anschaulich. Der Schwerpunkt liegt auf effizienten, rechnergestutzten Losungsansatzen, z. B. Wavelets, Splines und Mehrgitterverfahren. Viel Wert wird dabei auf aktuelle Anwendungsbeispiele aus dem Umfeld Computer Science gelegt, wie Bildverarbeitung, Computer-Graphik, Data Mining und Wettervorhersage. Historische Beispiele erganzen die...

Soft matter science is nowadays an acronym for an increasingly important class of materials, which ranges from polymers, liquid crystals, colloids up to complex macromolecular assemblies, covering sizes from the nanoscale up the microscale. Computer simulations have proven as an indispensable, if not the most powerful, tool to understand properties of these materials and link theoretical models to experiments. In this first volume of a small series recognized leaders of the field review advanced topics and provide critical insight into the state-of-the-art methods and scientific questions...