CPMD

CPMD is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

Availability / Target HPC systems

CPMD requires an individual license.

Notes

TBD

Sample job scripts

none yet; please volunteer!

Further information

Mentors

  • T. Klöffel, RRZE, support-hpc@fau.de
  • AG B. Meyer (Interdisciplinary Center for Molecular Materials)