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Postdoc position - Machine learning for strongly ... (No replies)

brabecj
5 years ago
brabecj 5 years ago

The Department of Theoretical Chemistry, J. Heyrovsky Institute of Physical Chemistry, Czech Academy of Sciences,  Prague, Czech Republic. 

We are looking for a postdoctoral fellow to join our project focusing on machine learning in computational chemistry, in particular for prediction of properties of strongly correlated electronic systems, and for automated searching of new materials with selected properties. In the ab initio part we use state-of-the-art methods - DMRG, coupled cluster approach (in LPNO/DLPNO basis), for which we recently developed efficient parallel codes.

The position is for 2 years with a possibility of extension. 

Candidates should have an expertise in computational chemistry and programming (mainly C++, Fortran, Python).

For more information please contact Dr. Jiri Brabec at [email protected]




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Ab initio (from electronic structure) calculation of complex processes in materials