1. Introduction: why scientific computing
2. computer architectures
3. Introduction to Unix/Linux
4. Foundations of C++
* progamm organization
* data types, operator, control structures
* dynamic memory allocation
* functions
* class
* OpenMP parallelization
5. numeric /algorithms
* finite differences
* MD simulations: 2nd order differential equations
* algorithms for particle simulations
* solver for linear systems of eqns.

The student can

• apply the programming language C++ for scientific computing in the field of materials science
• adapt programs for use on parallel platforms
• choose suitable numerical methods for the solution of differential equations.

The lecture can not be combined with the lecture "Application of advanced programming languages in mechanical engineering" (2182735).

regular attendance: 22,5 hours
Lab: 22,5 hours (optional)
self-study: 75 hours

written exam 90 minutes

1. C++: Einführung und professionelle Programmierung; U. Breymann, Hanser Verlag München
2. C++ and object-oriented numeric computing for Scientists and Engineers, Daoqui Yang, Springer Verlag.
3. The C++ Programming Language, Bjarne Stroustrup, Addison-Wesley
4. Die C++ Standardbibliothek, S. Kuhlins und M. Schader, Springer Verlag

Numerik:

1. Numerical recipes in C++ / C / Fortran (90), Cambridge University Press
2. Numerische Mathematik, H.R. Schwarz, Teubner Stuttgart
3. Numerische Simulation in der Moleküldynamik, Griebel, Knapek, Zumbusch, Caglar, Springer Verlag