A Review of Computational Methods in Materials Science: Examples from Shock-Wave and Polymer Physics

@inproceedings{Steinhauser2009ARO,
  title={A Review of Computational Methods in Materials Science: Examples from Shock-Wave and Polymer Physics},
  author={Martin Steinhauser and Stefan Hiermaier},
  booktitle={International journal of molecular sciences},
  year={2009}
}
This review discusses several computational methods used on different length and time scales for the simulation of material behavior. First, the importance of physical modeling and its relation to computer simulation on multiscales is discussed. Then, computational methods used on different scales are shortly reviewed, before we focus on the molecular dynamics (MD) method. Here we survey in a tutorial-like fashion some key issues including several MD optimization techniques. Thereafter… CONTINUE READING