Dear colleagues,

The newly founded graduate school "Tailored Scale-Bridging Approaches to Computational Nanoscience" (www.compnano.kit.edu), starting on 1 April 2019, addresses the development and application of multiscale approaches to the scientific challenges of friction, materials aging, material design and biological function. The specific projects will focus on modelling friction between inorganic and biological materials, reactions on semiconductor surfaces, electron and exciton migration in organic electronics, and biochemical reactions in proteins undergoing large structural changes. The models involve many different length- and timescales, therefore, methods of ab initio quantum chemistry, force-field and coarse-grained approaches up to phenomenological approaches will be combined. To enable such complex and computationally demanding simulations all projects will employ workflow technologies combined with high performance computing (HPC).

We are seeking a postdoctoral researcher in computational science for the following tasks:

* Developing new, and extend and adapt existing scientific workflow methods to enable domain-specific solutions in computational nanoscience, in particular to improve usability and scalability of scientific workflow applications on HPC systems * Disseminating knowledge about workflow methods to application scientists in form of tutorials and in several collaborative projects within the graduate school * Deploying middleware (such as UNICORE, FireWorks, MongoDB)

The successful candidate should have a doctoral degree in computer science or computational science and experience with workflow systems, workflow languages and/or high performance computing.

We offer a unique interdisciplinary working environment to provide IT services and perform research under one roof and the opportunity for a career step in computational science with focus on scientific workflow methodology.

Applications and inquiries should be sent via email to Dr. Ivan Kondov (ivan.kondov@kit.edu).

With my best regards, Ivan Kondov

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Karlsruhe Institute of Technology (KIT) Steinbuch Centre for Computing (SCC)

Dr. Ivan Kondov Scientific Computing and Simulation

Hermann-von-Helmholtz-Platz 1 76344 Eggenstein-Leopoldshafen Germany Phone: +49 721 608 28644 Fax: +49 721 608 24972 Email: ivan.kondov@kit.edu Web: www.scc.kit.edu

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