We are looking for a highly motivated Ph.D. candidate to investigate the discharge of Mg battery anodes by utilizing a novel hybrid computational approach. The topic is part of the project "Digital Materials Manufacture for application-oriented, accelerated development of functional materials for energy transition (DigiMatMan)". The position is limited to three years.

You will carry out large-scale density functional theory (DFT) calculations in frame in close cooperation with scientists from the Helmut-Schmidt University in Hamburg and other involved partners. Your main responsibility will be to gain a deeper understanding of the reactions at the Mg anode interface and to explore the effect of electric fields, of defects and of impurities on the discharge mechanism. Towards this end you will use and extend novel simulation techniques to explore the stripping of Mg atoms at metallic anode electrolyte interfaces.

Equality of opportunity is an important part of our personnel policy. We would therefore strongly encourage qualified women to apply for the position.

Your tasks

• identification and calibration of model parameters in strong interaction with experimentalists of the project partners
• adaption of computational codes to model, process and understand Mg electrolyte interfaces
• analysis of simulation results by post-processing tools and contribution to anode developments
• active collaboration and exchange with partners
• publication and presentation of your scientific results in consortia meetings, international scientific journals and at international conferences and workshops
• contribution to project documentation

Your profile

Essential qualifications:

• a MSc degree in chemistry, physics, mechanical engineering, mathematics or related disciplines
• programming skills in one or more languages (Matlab, Python, R, C, Fortran)
• profound knowledge of density functional theory
• excellent knowledge of English (written and spoken)
• high degree of motivation, creativity, and flexibility
• ability and willingness to participate in materials research
• ability to work in an interdisciplinary and international team of scientists

Desirable qualifications:

• experience in processing and interpretation of battery (modelling) data
• practical experience in battery testing
• international research experience
• academic publication record and excellent writing skills
• willingness to learn German

We offer you

• multinational work environment with ca. 1,100 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 the compatibility of family and career
• excellent infrastructure, including a scientific in-house library as well as modern work spaces
• remuneration according to the standards of the collective wage agreement TV-AVH including further social benefits
• free employee advice – Employee Assistance Program (EAP)
• childcare offers
• Welcome Office, guest accommodation
• canteen at the Geesthacht location

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.