[Openchemistry-developers] [OpenBabel-Devel] [Rdkit-devel] GSoC project introduction - C.C. web repository

[Geoffrey Hutchison]

> This looks to be very similar to the AiiDA platform, which also allow remote job submission/monitoring/retrieval and parsing for a number of mainstream quantum chemistry codes (QuantumESPRESSO, CP2k etc)... may be worth looking into. 

My understanding has been that AiiDA was focused almost exclusively on solid state codes. While there is certainly some overlap, I do not believe anything similar exists for molecular quantum chemical software.

-Geoff

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Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geoffh at pitt.edu
web: http://hutchison.chem.pitt.edu/