Offered is a postdoctoral fellowship for 12 months in the theoretical chemistry
department of the Max-Planck-Institute für Kohlenforschung in Mülheim an
der Ruhr, Germany.
Description:
The designated project focuses on the development of a polarizable molecular
mechanics force field based on existing ab initio data [1,2], which is able to
reproduce the far-infrared absorption spectrum of water in molecular dynamics
simulations. The model will complement ab initio and semi-empirical methods,
particularly for the application to large-scale systems such as biomolecular
solutions.
It will then be used to investigate long-ranged effects of biomolecular solutes
on the far-infrared/THz spectrum of the hydrogen bond network of water
observed in experiments [3], which have been linked to modified collective
dynamics in the hydration shell [4].
The applicant will be embedded in a collaborative research environment, which
includes the Excellence Cluster RESOLV centered at the nearby Ruhr-University
Bochum.
Additional information is available on the group website:
http://www.kofo.mpg.de/heyden
and from the cited publications:
[1] M. Heyden et al., PNAS, 107(27), 12068-12073 (2010).
[2] M. Heyden et al., JPCL, 3, 2135-2140 (2012).
[3] S. Ebbinghaus et al., PNAS, 104(52), 20749-20752 (2007).
[4] M. Heyden & D. J. Tobias, PRL, 111(21), 218101 (2013).
Send your application until April 21st to:
Dr. Matthias Heyden <[log in to unmask]>
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