name |
institute |
WG |
metals |
techniques |
resources |
expt/comp |
Stephan P. A. Sauer |
Univ. of Copenhagen |
WG 2,
WG 4 |
-
|
DFT, CCSD, EPR, NMR, Mössbauer calculations and PAC parameters
|
Quantum chemical programs, Computers
|
Comp.
|
Biprajit Sarkar |
Freie Universität Berlin |
WG 3, WG 4 |
Fe,
Co,
Ni,
Cu,
Ru
|
Electrochemistry, UV-vis-NIR Spectroscopy, IR Spectroscopy, EPR Spectroscopy, Spectroelectrochemistry, Synthesis
|
Potentiostats, Spectroelectrochemical Cells, UV-vis-NIR Spectrometer, IR Spectrometer, EPR Spectrometer, NMR Spectrometers, Diffractometers, Mass Spectrometers
|
Exp.
|
Jalila Simaan |
CNRS / Aix Marseille University |
WG 2,
WG 4 |
Cu,
Fe
|
Inorganic synthesis, Metal containing biological systems, Reactivity, Kinetics, EPR
|
Chemistry and Biology lab., FPLC, HPLC, GC, GC-MS, Fluorimeter, Stopped-flow, Cryo-stopped flow
|
Exp.
|
Marie Sircoglou |
Univ. Paris Sud |
WG 4
|
Fe,
Mn,
Ru,
Ni,
Co
|
Coordination chemistry, UV-vis, Spectroelectrochemistry, cyclic voltammetry, EPR, stopped flow
|
UV-vis, Fluorimeter, Potentiostat, EPR, Stopped flow, Glovebox, X-ray, Mass Spect.
|
Exp. |
Mariona Sodupe |
Univ. Autònoma de Barcelona |
WG 4 |
Cu,
Fe
|
DFT and post-Hartree-Fock methods (CASSCF, CCSD(T))
|
58 calculation nodes for a total of 1664 cores
|
Comp.
|
Matthias Stein |
Max Planck Institute, Magdeburg |
WG 2 |
Ni,
Fe,
Rh,
Cu
|
DFT,
MD,
Theoretical Spectroscopy (EPR, IR, Raman, NMR, Mössbauer),
Protein Design, Brownian Dynamics
|
CPUs
|
Comp.
|
Marcel Swart |
Univ. Girona & ICREA |
WG 4 |
Fe,
Mn,
Co,
Ni,
Cu,
Zn
|
DFT,
MM
|
CPUs,
Supercomp.
|
Comp. |