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PhD Position in Multiscale Computational Modeling of Nanomaterials


MBN Research Center offers a PhD student position in the field of computational Meso-Bio-Nano Science. The position is for 36 months starting not later than October 01, 2019. The successful PhD candidate will be working on the computational modeling of irradiation-driven structural and phase transitions in nanomaterials.

The main goal of this research project is to explore fundamental physicochemical phenomena that govern structural and phase transitions in complex molecular systems coupled to radiation by means of molecular dynamics (MD) simulations. Irradiation-driven chemical transformations form a basis for modern nanotechnologies which allow for the controlled fabrication of nanostructures with nanometer resolution. The project goal will be fulfilled by means of advanced theoretical and modeling approaches, computational tools and novel algorithms implemented in the advanced software packages MBN Explorer and MBN Studio.

The successful PhD candidate will work on advancing of the multiscale modeling techniques based on DFT, MD, Monte Carlo and Irradiation-Driven MD simulations. These methodologies will be applied for studying the irradiation-driven structural and phase transitions of metal clusters, organometallic molecules and nanostructures fabricated by means of Focused Electron Beam Induced Deposition (FEBID) at atomistic level of detail. The selected PhD student will be involved in the development of models, running DFT and MD codes, analytical and numerical analysis of the data, analysis of the results obtained, their comparison with experimental data, and in preparation of the results for publication.

Art der Förderung

PhD student position, Working contract


  • MSc Degree in Physics, Chemistry, Materials Science, Computational Nanoscience, or related disciplines;
  • Knowledge of the basic principles of DFT and MD simulations of nanomaterials;
  • Good knowledge of English (both written and oral);
  • Good communication skills and ability to work in an interdisciplinary team;
  • Basic programming skills.


Please apply until 01.06.2019 by sending your applications to team@mbnexplorer.com. Applications should contain the following documents compiled in a single pdf file:

  • Cover letter / Letter of motivation
  • Curriculum vitae, with a list of publications (if any) - Grade transcripts and BSc/MSc diploma
  • 2 letters of recommendation

All documents should be submitted in English. The selection process will be based on a competitive, equal opportunities basis following the common academic practices. Applications will be considered on a rolling basis until the position is filled.

In case of any questions or further inquiries please write to team@mbnexplorer.com.

Bewerbungsfrist: 01.06.2019

Weitere Informationen


  • Deutschland
  • Frankreich
  • Großbritannien
  • USA
  • Osteuropa
  • Europa
  • Weltweit


  • Promotion

Angestrebter Abschluss

  • Master
  • Diplom

Geförderte Fachrichtungen

  • Mathematik, Naturwissenschaften: Informatik
  • Mathematik, Naturwissenschaften: Physik, Physikalische Technik, Astronomie


MBN Research Center gGmbH
Altenhöferallee 3
60438 Frankfurt

Telefon: +49 69 348756-15
Telefax: +49 69 348756-28
Internet: www.mbnresearch.com


Irina Solovyeva
Internet: www.mbnresearch.com/phd-position-multiscale-computational-modeling-nanomaterials

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