Computational Multiscale Modeling of Fluids and Solids

Dr. habil. Martin Oliver Steinhauser studied physics and mathematics in Ulm, Heidelberg, Munich in Germany and at the University of Massachusetts (UMASS) at Amherst, MA, USA. He earned his PhD at the Max-Planck-Institute for Polymer Research in Mainz. After senior positions in software and life science industry he became senior scientist at a Fraunhofer research institute and since then was principal investigator in many research projects in basic and applied science. He is Doctor Habilitatus in Physical Chemistry at the University of Basel, Switzerland where he worked as academic teacher for 8 years. His research interests cover interdisciplinary areas such as high-performance computing, numerical method development, modeling and simulation of soft, biological matter systems on multi scales as well as shock wave physics and space research. In 2020 he was appointed as full Professor of Applied Physics and Computer Science at Frankfurt University in Frankfurt/Main. He lives with his family in Freiburg, Germany.

The expanded 3rd edition of this established textbook offers an updated overview and review of the computational physics techniques used in materials modelling over different length and time scales. It describes in detail the theory and application of some of the most important methods used to simulate materials across the various levels of spatial and temporal resolution. Quantum mechanical methods such as the Hartree-Fock approximation for solving the Schrödinger equation at the smallest spatial resolution are discussed as well as the Molecular Dynamics and Monte-Carlo methods on the micro- and meso-scale up to macroscopic methods used predominantly in the Engineering world such as Finite Elements (FE) or Smoothed Particle Hydrodynamics (SPH).

Extensively updated throughout, this new edition includes additional sections on polymer theory, statistical physics and continuum theory, the latter being the basis of FE methods and SPH. Each chapter now first provides an overview ofthe key topics covered, with a new "key points" section at the end. The book is aimed at beginning or advanced graduate students who want to enter the field of computational science on multi-scales. It provides an in-depth overview of the basic physical, mathematical and numerical principles for modelling solids and fluids on the micro-, meso-, and macro-scale. With a set of exercises, selected solutions and several case studies, it is a suitable book for students in physics, engineering, and materials science, and a practical reference resource for those already using materials modelling and computational methods in their research.

Presents a comprehensive overview of computational methods used in multiscale materials modelling

Introduction to Multiscale Modeling.- Multiscale Computational Materials Science.- Mathematical and Physical Prerequisites.- Fundamentals of Numerical Simulation.- Computational Methods on Electronic/Atomistic Scale.