[QE-users] looking for someone to perform calculations

Coralie Khabbaz khabbaz.coralie at gmail.com
Fri Jul 24 22:21:39 CEST 2020


Hello,

I am looking for someone that is skilled in quantum espresso and that can
model CH4 conversion to C2H4 on a tungsten nitride catalyst (find the
adsorption energies of the intermediates on the slab, find the reaction
pathway, the activation barriers and the reaction energies). It is going to
be paid well!

Thank you
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