Computer simulations

What

We investigate phenomena taking place during irradiation of solid and liquid surfaces with keV cluster ion beams.

How

Molecular dynamics computer simulation is used to perform calculations. A set on Newtonian equations of motion of N interacting atoms is solved by using an appropriate algorithm. Both pairwise and many-body potentials are used to describe mutual interaction.

Where

The calculations are performed on supercomputers of the PlGrid system and on machines located at the supercomputer center of the Pennsylvania State University (in collaboration with Prof. B.J. Garrison). We also have our own cluster with 256 computing nodes.