InhaltsangabePart 1 Fundamentals: Introduction.- Multiscale Computational Materials Science.- Mathematical and Physical Prerequisites.- Fundamentals of Numerical Simulation.- Part II Computational Methods on Multiscales: Computational Methods on Electronic/Atomistic Scale.- Computational Methods on Microscopic/Mesoscopic Scale.- Computational Methods on Atomistic/Microscopic Scale.- Computational Methods on Microscopic/Mesoscopic Scale.- Perspectives in Multiscale Materials Modeling.- Further Reading.- Mathematical Definitions.- Sample Code for the Main Routine of a MD Simulation.- A Sample Makefile.- Tables of Physical Constants.- Selected Solutions.

Part 1 Fundamentals: Introduction.- Multiscale Computational Materials Science.- Mathematical and Physical Prerequisites.- Fundamentals of Numerical Simulation.- Part II Computational Methods on Multiscales: Computational Methods on Electronic/Atomistic Scale.- Computational Methods on Microscopic/Mesoscopic Scale.- Computational Methods on Atomistic/Microscopic Scale.- Computational Methods on Microscopic/Mesoscopic Scale.- Perspectives in Multiscale Materials Modeling.- Further Reading.- Mathematical Definitions.- Sample Code for the Main Routine of a MD Simulation.- A Sample Makefile.- Tables of Physical Constants.- Selected Solutions.