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10 PhD Scholarships / Postdoctoral Positions in Computational Materials Science

The Cluster of Excellence ‘Engineering of Advanced Materials’ of the Friedrich-Alexander Universität Erlangen-Nürnberg is inviting applications for doctoral students and postdocs in the area of Computational Materials Science to join the institute for general materials properties, the computer chemistry center and/or the chair of theoretical chemistry.

The successful candidate will hold a Masters degree, preferably in Materials Science, Physics, Chemistry, or Mechanical Engineering, and have a solid background in mechanical behavior of materials. Experience in scientific programming is required. In addition, experience with Molecular Dynamics simulations is highly desirable. Excellent oral and written communication skills (English and/or German) and the ability to work well in a dynamic and collaborative research environment are essential.

Research topics include:

• Atomistic studies of topological anisotropy and mechanical properties of silicate glasses within the Priority Program “Topological Engineering of Ultra-strong Glasses” (SPP 1594) of the German Research foundationDFG

• Several positions for the molecular dynamics studies of crystal nucleation and/or ion/molecule deposition on growing surfaces. From this, molecular understanding of growth control, functionalization and the self-organization of core-shell nanoparticles and nanocomposites is elaborated (Kawska-Zahn approach).

• Association and self-assembly of melanin molecules from molecular dynamics simulation and characterization of its photochemistry from MO theory and QM/MM modeling. This project will be in close cooperation with experimental partners in Erlangen.

• Molecular dynamics studies related to the self-organization of inorganic/organic composites and/or the interplay of structure and mechanical properties (deformation, creep, fracture and self-healing) of hierarchical bio(mimetic) nanocomposites.

• Molecular modeling and simulation related to hair and hair care issues. The work is dedicated to improving our ‘chemical hair model’ by studying the assembly of keratin proteins and creating fibrils of increasing complexity. Moreover, studies of deformation and fracture and the docking/reaction of hair-care related compounds will be of central importance.

• Molecular dynamics characterization of ionic liquids and related liquid-crystals for application as proton conductors in fuel cells. Apart from purely classical molecular dynamics simulation, the development of effective QM/MM protocols is envisaged.

• Development and programming of a novel polarizable force-field with multipole electrostatics.

Applicants are asked to submit curriculum vitae with names and contact information of two references, list of publications and statement of research interest with respect to the above topics to:

The search committee (Erik Bitzek, Tim Clark, Dirk Zahn) comprises professors from Chemistry, Physics and Mechanical Engineering reflecting the interdisciplinary research environment in Erlangen.

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