Using ORCA quantum chemistry program on Komondor - online workshop

Tuesday 17 Jun 2025, 09:00 → 12:00 Europe/Berlin

The online workshop will present the composite models implemented by the ORCA quantum chemistry software. With ORCA, you can quickly get started with preparing your first input data and performing your first quantum chemical calculations. The workshop will cover the estimation of the computational power available on Komondor and the procedures and performance characteristics that lead to their optimal use.