name | institute | WG | metals | techniques | resources | expt/comp |
Leeor Kronik | Univ. Weizmann Institute of Science | WG 3 | Cu, Fe, Ru, Mn, Zn, Ni, Sc, Ti, V, Co, Cr | DFT, Many-body Perturbation Theory | Supercomp. | Comp. |
Edwin Otten | Univ. of Groningen | WG 3, WG 4 | Fe, Ti, Zn, Ru, Zr, Nb, Ta | Crystallography, NMR, EPR, DFT, Handling air-sensitive compounds | X-ray, NMR, Glovebox | Exp. |
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. |
Marcel Swart | Univ. Girona & ICREA | WG 4 | Fe, Mn, Co, Ni | DFT, MM | CPUs, Supercomp. | Comp. |