Optimization projects for BAND

Dr. Fons van Hees (University of Utrecht, The Netherlands) has recently started on a project to optimize the BAND program (SCM’s periodic structure DFT code), extending upon earlier successes on the optimization of the ADF code.

Dr. Pier Philipsen, SCM’s expert on the BAND program and periodic structure calculations in general, will supervise this work which will focus both on improving serial performance and further improving the parallel scaling of BAND. Simultaneously, Dr. Philipsen is working on algorithmic improvements that should further boost BAND’s computational efficiency. As both projects are now just getting started, we cannot show any results yet, but we will keep you updated…