| name | institute | WG | metals | techniques | resources | expt/comp |
| Benoît Champagne | Univ. of Namur | WG 4 | Ru, Ag, Au | Methods for predicting and interpreting molecular properties | HPC infrastructures | Comp. |
| Alex Domingo | KU Leuven | WG 4 | Cr, Mn, Fe, Co, Ni, Cu | CASSCF/CASPT2, NEVPT2, DDCI, Orbital Localization, CPMD | - | Comp. |
| Quan Phung | KU Leuven | WG 2, WG 4 | Mn, Fe, Ru | DFT, CCSD(T), CASSCF/CASPT2, NEVPT2 | Supercomputing VSC Belgium | Comp. |
| Kristine Pierloot | Univ. of Leuven | WG 2, WG 4 | Fe, Mn, Ru, Co, Mo | Multiconfigurational methods (CASPT2, RASPT2), DFT, CC methods | Computer cluster, Supercomp., Molcas, Molpro, Gaussian, Turbomole | Comp. |
| Balazs Pinter | Free University Brussels | WG 3 | Fe, Ti, V, Ru, Co, Ni, Pd, Cu, Ag, Pt, Au | DFT, NCI method, NOCV analysis, Energy Decomposition Analysis | Gaussian09, ORCA, ADF2013, molpro, Hydra supercomputer VUB/ULB | Comp. |
| Yann Garcia | Univ. Catholique de Louvain | WG 3 | - | - | - | Exp. |
