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Date: Fri Apr 27 04:33:51 2018
Subject: 18.04.27 Postdoc Scholarship in Theoretical Chemistry - Uppsala University, Sweden
A postdoctoral scholarship in Theoretical Chemistry is open in the group of Assoc. Prof.
Marcus Lundberg, at the Department of Chemistry - Angstrom Laboratory, Uppsala
University, Sweden. The group performs theoretical simulations of transition-metal
catalyzed reactions, combined with spectroscopic fingerprinting of intermediates,
mainly using X-ray spectroscopy. The Department of Chemistry - Angstrom Laboratory
offers a very strong research environment, with top-quality research in transition metal
catalysis. Uppsala University is the oldest university in all of the Nordic countries and
ranks among the world's 100 best universities in several high-profile international
rankings. Uppsala University is striving to achieve a more even gender balance, and 
women are especially encouraged to apply.

Project description: The aim is to identify intermediates in heme chemistry using their
X-ray spectroscopic fingerprints. Heme enzymes perform a number of critical
biological functions, e.g., oxygen transport, electron transfer and catalysis. X-ray
spectroscopy can be used to separate signals from the iron center and the ligands,
which offers a unique view of the electronic structure. The rapid development of
experimental techniques such as soft X-ray absorption of solution samples and hard
X-ray scattering, both at free-electron lasers and synchrotron lightsources, requires
corresponding advances in modeling. We have, together with other groups, pioneered
the use of the multiconfigurational restricted active space (RAS) approach to model
X-ray spectra of transition metals, research performed in close collaboration with the
OpenMolcas package. In this project RAS simulations will provide experimentally
validated electronic structures of key intermediates in oxygen binding and activation
in heme enzymes and model complexes.

Requirements: The applicant must have a PhD in chemistry or an equivalent education
in a nearby scientific field. A background in modeling of molecular systems using
theoretical  chemistry methods is necessary. The applicant must speak and write good

Additional qualifications: Experience with one or more of the following areas is
appreciated: transition metal systems, multiconfigurational methods and X-ray
spectroscopy. Preference will be given to applicants who have obtained their PhD less
than five years ago. A combined assessment will be made of the applicant's
competence, interest and knowledge in the subject area, as well as the suitability to
carry out and develop a large research project.

Scholarship conditions: The scholarship is initially for 1 year, with possible extension to
a 2nd year pending approval from the funding agency. More information on the terms
that apply will be provided during the application process.

Further information can be obtained from: Marcus Lundberg,
phone: +46-18-471 3708, e-mail: marcus.lundberg]^[,
The application should contain a short description of research interests and
background, CV, copy of PhD thesis (or draft version) and contact information to
two references. Submit your application by e-mail to marcus.lundberg]^[
no later than the 18th of May 2018.
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