Many fields in science and engineering require large-scale numerical simulations of complex systems described by differential equations. These systems are typically multi-physics (they are driven by multiple interacting physical processes) and multiscale (the dynamics takes place on vastly different spatial and temporal scales). Numerical solution of such systems is highly challenging due to the dimension of the resulting discrete problem, and to the complexity that comes from incorporating multiple interacting components with different characteristics. The main contributions of this dissertation are the creation of new families of time integration methods for multiscale and multiphysics simulations, and the development of industrial-strengh tools for sensitivity analysis. This work develops novel implicit-explicit (IMEX) general linear time integration methods for multiphysics and multiscale simulations typically involving both stiff and non-stiff components. In an IMEX approach, one uses an implicit scheme for the stiff components and an explicit scheme for the non-stiff components such that the combined method has the desired stability and accuracy properties. Practical schemes with favorable properties, such as maximized stability, high efficiency, and no order reduction, are constructed and applied in extensive numerical experiments to validate the theoretical findings and to demonstrate their advantages. Approximate matrix factorization (AMF) technique exploits the structure of the Jacobian of the implicit parts, which may lead to further efficiency improvement of IMEX schemes. We have explored the application of AMF within some high order IMEX Runge-Kutta schemes in order to achieve high efficiency. Sensitivity analysis gives quantitative information about the changes in a dynamical model outputs caused by caused by small changes in the model inputs. This information is crucial for data assimilation, model-constrained optimization, inverse problems, and uncertainty quantification. We develop a high performance software package for sensitivity analysis in the context of stiff and nonstiff ordinary differential equations. Efficiency is demonstrated by direct comparisons against existing state-of-art software on a variety of test problems. / Ph. D.

Bei der Modellierung elektrischer Schaltungen ergeben sich Algebro-Differentialgleichungen (DAEs) mit proper formuliertem Hauptterm. Diese Gleichungen müssen z.B. bei der transienten Schaltungssimulation numerisch gelöst werden. Bei den klassischen Ansätzen der Linearen Mehrschrittverfahren oder der Runge-Kutta Verfahren ergeben sich Nachteile, die durch Verwendung von Allgemeinen Linearen Verfahren vermieden werden können. Sowohl Lineare Mehrschrittverfahren als auch Runge-Kutta Verfahren sind als Spezialfälle in dieser allgemeineren Klasse enthalten. Darüberhinaus sind aber neue Verfahren mit verbesserten Eigenschaften möglich. In dieser Arbeit werden DAEs der Schaltungssimulation eingehend studiert und Allgemeine Lineare Verfahren für solche Gleichungen untersucht. Die Verfahrenskonstruktion und Implementierungsfragen werden ausführlich diskutiert. Diese Arbeit erscheint im Logos Verlag Berlin (www.logos-verlag.de, ISBN 3-8325-1353-1). / Modelling electrical circuits leads to differential algebraic equations (DAEs) having a properly stated leading term. These equations need to be solved numerically, e.g. in case of a transient analysis of the given circuit. Classical methods such as linear multistep methods or Runge-Kutta schemes suffer from disadvantages that can be overcome by studying general linear schemes. Both Runge-Kutta methods and linear multistep schemes belong to this class as special cases, but there is plenty of room for new methods with improved properties. This work presents both a detailed study of DAEs in the framework of integrated circuit design and a thorough analysis of general linear methods for these kind of equations. The construction and implementation of general linear methods for DAEs is discussed in detail. This work is published by Logos Verlag Berlin (www.logos-verlag.de, ISBN 3-8325-1353-1).