| name | institute | WG | metals | techniques | resources | expt/comp |
| Tomasz Borowski | Jerzy Haber Institute, Polish Academy of Sciences | WG 2 | - | - | - | Comp. |
| Ewa Broclawik | Jerzy Haber Institute of Catalysis, Polish Academy of Sciences | WG 2 | Fe, Co, Cu | DFT, WF techniques, active site modeling | local cluster, access to supercomputers at CYFRONET | Comp. |
| Mariusz Radoń | Jagiellonian Univ. Kraków | WG 2 | Fe, Mn, Co, Cu, Ru, Mo | Multiconfigurational methods (CASSCF, CASPT2, RASPT2, NEVPT2), DFT, CC methods | Local computer cluster and access to supercomputing centers (CYFRONET, WCSS) | Comp. |
