Coupling of different length scales in molecular dynamics simulations [Elektronische Ressource] / Anja Streit

Coupling of di eren t length scales inmolecular dynamics simulationsAnja StreitDissertationD368Vom Fachbereich Mathematik der Universit at Kaiserslauternzur Verleihung des akademischen Grades Doktor derNaturwissenschaften (Doctor rerum naturalium, Dr. rer. nat.)genehmigte DissertationGutachter:Prof. Dr. Axel KlarProf. Dr. Karsten AlbeDatum der Disputation: 21.12.20062I would like to thank all the people who supported the work on this thesis in variousways.First of all, I thank Prof. Michael Junk for the supervision during the rst one anda half years of my work on this thesis, Prof. Axel Klar for his supervision afterwardsand Prof. Karsten Albe for being the co-referee.I thank Prof. Achi Brandt and Dr. Sc. Valery Ilyin for interesting and helpful dis-cussions and comments and a very interesting visit at the Weizmann Institute ofScience.Special thanks to Dr. Peter Klein for suggesting this interesting problem, for ex-plaining me the important aspects in this eld from the point of view of a physicist,many interesting discussions and his help with various problems.This work was done with the nancial support of Fraunhofer ITWM Kaiserslautern.I thank Dr. Franz-Josef Pfreundt for giving me the opportunity to work in the Com-petence Center High Performance Computing and Visualization and all colleaguesfrom the department. Especially Dr. Susanne Hahn and Dr. Robert Zillich for thegood cooperation and help in theoretical physics.I thank Dr.