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Postdoctoral position in computational catalysis ... (No replies)

honkala
7 years ago
honkala 7 years ago

Biomass-based resources are generally densely functionalized in
contrast with materials derived from fossil-fuel resources. To enable
their use as feedstocks for the chemical and polymer industry requires
innovative, novel catalysis technologies. New active, selective, and
stable heterogeneous catalysts are crucial to produce building block
molecules from biomass-based raw materials. The project is funded by
the Academy of Finland as a part of the special Biofuture 2025
programme.

This project focuses on the development of selective catalysts via
ligand-modified heterogeneous metal catalysts, building on our recent
papers (Angew. Chem. Int. Ed. 2016, ACS Catal. 2017) showing how the
mechanisms, and selectivity, of heterogeneously catalysed reactions
can change with coverage and even by conformational freezing of
substrates on the surface. The work will be carried out in a close
collaboration with the experimental group at the same department.

The eligible candidate has or is about to obtain a PhD in the field of
computational chemistry and demonstrates a documented track record of
experience in computational catalysis, first principles calculations,
and modelling of reaction networks. In addition, the eligible
candidate is expected to be able to carry out and communicate the
research results in a multidisciplinary research environment. Good
understanding of fundamentals of organic chemistry, knowledge of
python language, experience in high performance computing or kinetics
of surface reactions is considered a bonus.

The position is available for two years from March 1, 2017, but the starting date is negotiable.

For more information please see https://www.jyu.fi/kemia/en/recruiting/chempostdocpos1_2017
or via email [email protected]

Please submit your application at latest on 31 January 2017 via the electronic application system
https://www.jyu.fi/saima/certiahome/open_job_view.html;jsessionid=A81B63D9FF2D45C297DCB5D04DEE1A0B.worker2?id=00003167&did=5600&lang=en&jc=12&nav_from_open_jobs_view_new=true




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