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The Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) is looking for a 

Post-doctoral Researcher (m,f,x) in the field of Atomistic simulation of alumina grain boundary structure and diffusion for 2 years, 39,83 hours per week, TVL E13

The Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) focuses on the development and application of a new generation of simulation tools for multi-scale materials modelling with the aim of reducing development cost and time for new materials. The different length scales from the atomic structure to macroscopic properties of materials are bridged by an interdisciplinary team of scientists from engineering, materials science, chemistry, physics and mathematics.

extent: full-time
duration: temporary
beginning: as soon as possible
application deadline:
30.09.2024
Oxide scales on Al- or Cr-containing alloys provide efficient and inexpensive corrosion protection. However, key atomic mechanisms in oxide scale formation are unknown or disputed, which limits insight and understanding and blocks the computational design of optimal alloys and oxide scales. Atomistic simulation of mechanisms in oxide scale formation is difficult. Only very recently accurate interatomic potentials became prominant, which describe a potential energy surface with near-DFT precision. Within this category the approach we favour is the Atomic Cluster Expansion (ACE), in which we are incorporating charge transfer.

The project will be supervised jointly by Prof. Ralf Drautz from Ruhr-University Bochum and Professor Mike Finnis from Imperial College London. The successful candidate will be based at Ruhr-University Bochum and will visit Imperial College regularly.

Your tasks:

  • The successful candidate will develop accurate and transferable interatomic potentials for the aluminium-oxygen system, including charge transfer. The candidate will employ these potentials for the simulation of diffusion in grain boundaries of the oxide scale and extract from the simulations the atomic scale mechanisms and diffusion coefficients that are decisive for understanding the growth rates of oxide scales. 
  • The Postdoc will develop and implement an Atomic-Cluster Expansion for the Al-O system including variable charges. The candidate will apply the model in simulations of grain boundary diffusion and transformation. This comprises carrying out high-throughput DFT calculations, code development in python, C++ and tensorflow, training of models and application of the models in large scale atomistic simulations.

Your profile:

  • We expect an excellent or very good doctoral thesis in physics, chemistry, materials science or related disciplines with strong interest/background in code development, atomistic simulation and machine learning.

Our offerings:

  • Challenging and varied tasks with a high level of personal responsibility
  • Team-oriented cooperation in a committed, international and appreciative team
  • a friendly and collegial environment
  • Options for flexible working

Additional information:

At the request of the applicant (m,f,x), the staff council may be involved in selection interviews. https://www.wpr.ruhr-uni-bochum.de/

If the position is funded by third-party funds the employee has no teaching obligation.

German language courses are offered by the University Language Center (ZfA) in the field of German as a Foreign Language (DaF).
https://www.daf.ruhr-uni-bochum.de/sbgk/index.html.en

You can find information about TVL at: https://oeffentlicher-dienst.info/

The Ruhr-Universität Bochum is one of Germany’s leading research universities, addressing the whole range of academic disciplines. A highly dynamic setting enables researchers and students to work across the traditional boundaries of academic subjects and faculties. To create knowledge networks within and beyond the university is RUB’s declared aim.


The Ruhr-Universität Bochum stands for diversity and equal opportunities. For this reason, we favour a working environment composed of heterogeneous teams, and seek to promote the careers of individuals who are underrepresented in our respective professional areas. The Ruhr-Universität Bochum expressly requests job applications from women. In areas in which they are underrepresented they will be given preference in the case of equivalent qualifications with male candidates. Applications from individuals with disabilities are most welcome.

Contact details for your application:

Prof. Dr. Ralf Drautz, Phone: +49234 32 29308

Travel expenses for interviews cannot be refunded.

For information on the collection of personal data in the application process see: https://www.ruhr-uni-bochum.de/en/information-collection-personal-data-application-process.

We are looking forward to receiving your application with the specification ANR: 3650 until 30.09.2024, send by e-mail to the following address: 
application-ams@icams.rub.de


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