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Date: Fri Jan 19 15:49:33 2018
Subject: 18.01.19 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

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 multi-
configurational 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 English.

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.

Uppsala University is striving to achieve a more even gender balance, and women are
especially encouraged to apply.

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.
The application should contain a short description of research interests and background,
CV, documentation of PhD exam, copy of PhD thesis (or draft version) and other
documents of interest, such as recommendation letters. 

Further information can be obtained from: Assoc. Prof. Marcus Lundberg,
phone: +46-18-471 3708, e-mail: marcus.lundberg() 

Submit your application by e-mail to marcus.lundberg() at the 25th of 
February 2018, at the latest.
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