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postdoctoral research assistant at ICAMS, Ruhr-U ... (No replies)
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Position for a postdoctoral research assistant, 24 months initially, in the Department for Atomistic Modelling and Simulation at the Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) at Ruhr-Universität Bochum, Germany.
Transferability of interatomic potentials
Interatomic potentials are critical for modelling and simulation in materials science when atomic insight is required but the number of particles in the simulation is too large or the simulation time too long for more fundamental descriptions of the interatomic interactions, such as density functional theory (DFT). Despite the importance of interatomic potentials a generally accepted method for assessing the transferability of interatomic potentials is lacking. In this project we will assess the quality of interatomic potentials by comparing to high-throughput reference DFT data. The key challenge will be a rigorous analysis of transferability from which numerical measures suitable for the validation of interatomic potentials may be obtained. The transferability of a given interatomic potential will then be quantified from specific reference data in the form of characteristic numerical fingerprints. A second aspect will be the integration with existing potential and DFT data repositories, such that the fingerprinting of interatomic potentials may be carried out automatically. The project will be embedded in joint projects with the MPI für Eisenforschung as well as collaborations with international partners.
Potential candidates should have a strong track record in atomistic modelling and simulation and very good programming skills. We expect excellent communication skills in English and the willingness to travel to collaborators worldwide. Qualified candidates are asked to submit their application until March 15, 2016 to [email protected] (pdf-file only, incl. Curriculum Vitae, list of publications and contact details of up to three references).
For further information please visit http://www.icams.de or contact [email protected]