PhD (m/f/d) on the Simulation of Hydrogen Storage Materials

Helmholtz-Zentrum Geesthacht - Centre for Materials and Coastal Research (HZG)


Work group:

Institute of Materials Research

Area of research:

Scientific / postdoctoral posts

Starting date:


Job description:

PhD (m/f/d)
on the Simulation of Hydrogen Storage Materials
code no. 2019/WP 5
The place of employment is Garching by Munich.

The Helmholtz-Zentrum Geesthacht in Geesthacht, near Hamburg, and in Teltow, near Berlin, conducts materials and coastal research. You can find more information at

Helmholtz-Zentrum Geesthacht (HZG) operates the German Engineering Materials Science Centre (GEMS), a centre for synchrotron and neutron radiation materials research. The role is based in HZG?s outstation at the Heinz Maier-Leibnitz Zentrum (MLZ) in Garching by Munich, one of the world?s most powerful research neutron sources.

We are offering a three-year PhD student position (m/f/d) on the simulation of hydrogen storage materials starting as soon as possible. The successful candidate will work in close co-operation with the Institute for Materials Technology in Geesthacht and the Technical University of Munich, with the degree ultimately being awarded by the University of Kiel.

About the role:
This PhD project will model the processes in amide-based hydrogen storage materials using Molecular Dynamics (MD) computer simulations and will validate these models through direct comparison to neutron and X-ray scattering data. There will be a particular emphasis on making MD simulations reproduce scattering data.
The role involves close collaboration with an experimental PhD project. It will underpin the results of this related thesis by providing an atomistic understanding of the molecular structures and motions involved.

In particular, the successful candidate will:
- under the guidance of experienced colleagues, compare MD simulations to scattering data and optimize the parameters of the simulation accordingly
- create MD simulations of amide-based hydrogen storage materials
- evaluate simulations to obtain a mechanistic understanding of the processes involved
- publish and present scientific results in international scientific journals and at international conferences and workshops

About you
- you hold or are currently completing a master?s degree (or equivalent) in chemistry, physics, mathematics or a related field
- you are interested in merging experimental activities with computer simulations
- you are able to work in an international environment and present your results in English
- you have very good communication skills and look forward to work in an interdisciplinary team
- previous knowledge of scattering techniques, computer simulations, or python programming is an asset

Please direct any informal enquiries to Dr. Sebastian Busch (

We offer you:
- multinational work environment with over 950 colleagues from more than 50 nations
- extensive options of vocational training (i. a. expert seminars, language courses or leadership seminars)
- flexible working hours and various models to ensure ensure the compatibility of family and career
- excellent infrastructure including modern work spaces
- remuneration according to the standards of the collective wage agreement TV-AVH including further social benefits

The promotion of equal rights is a matter of course for us. Severely disabled persons and those equaling severely disabled persons who are equally suitable for the position will be considered preferentially within the framework of legal requirements.

Please send your application indicating job offer code no. 2019/WP 5 including your CV, a description of your scientific expertise, list of publications and presentations, copies of credentials (including grades), and documentation of your English skills and with the required documentation in ONE file, not larger than 10 MB, to

Closing date for applications is September 8th, 2019.

Please apply via recruiter’s website.

Quote Reference: 2019/WP 5