Join the Cluster of Excellence “BlueMat: Water-Driven Materials” and contribute to one of Europe’s most exciting research initiatives. Collaborate with a dynamic, interdisciplinary team that combines science, sustainability, and technology to create a better future. Help shape the next generation of sustainable materials inspired by nature’s most powerful resource: water.

For the Institute for Interface Physics and Engineering for 1 February 2026 we are looking for a

Research Associate (m/f/d) - 
Wissenschaftliche*r Mitarbeiter*in 

to conduct research within project Modeling: Integrating machine learning capabilities into atomistic electrochemical simulations (CA) as part of the BlueMat Cluster of Excellence. The position is full time and fixed-term until 31 January 2029. The remuneration is in accordance with salary group 13 TV-L (collective agreement for the public service of the federal states).

You will explore and advance the understanding of electrochemical and interfacial phenomena in hierarchical materials studied within BlueMat. The focuses on developing and applying novel computational methods that bridge multiple scales, from nanoscopic to macroscopic. Key responsibilities include integrating advanced charge equilibration (QEq) methods into machine-learned force fields (MLFFs) to achieve ab initio-level accuracy at a reduced computational cost, and modelling long-range electrostatic effects in electrochemical environments, including Faradaic effects. This position contributes to fundamental insights into electrochemical processes and dielectric behavior of confined water, supporting multiscale modeling efforts in electrochemistry and materials science.

YOUR CONTRIBUTIONS

• Develop hybrid machine-learned force fields (MLFFs) combined with polarizable force fields to enable accurate and computationally efficient electrochemical simulations
• Implement and apply advanced charge equilibration (QEq) methods to incorporate long-range electrostatic effects and dynamically adapt atomic partial charges based on local chemical environments
• Conduct high-fidelity molecular dynamics simulations informed by DFT and MLFFs to investigate atomistic mechanisms of water splitting, diffusion in confinement, and transport properties at electrochemical interfaces
• Collaborate closely with BlueMat partners in imaging, modeling, and fluid transport to integrate findings into the broader cluster program
• Share your findings through publications and engage with the research community and public
  

YOUR PROFILE

Essential qualification

• Completed university studies (master's degree or equivalent), in particular in the subject of computational science ideally with a specialization in the natural sciences

Required knowledge and personal skills

• Curiosity and teamwork skills for working in interdisciplinary teams
• Very good English required (at least B2/C1 level according to CEFR) – German is not mandatory
• Proficient in using atomistic simulation software such as LAMMPS or CP2K; experience with machine learning-based force fields is advantageous
• Experienced in high-performance computing and software development with strong programming skills
• Knowledgeable in programming languages including C++, CUDA, and Python, as well as object-oriented programming and parallelization methods such as MPI

OUR OFFER

• Scientific qualification with the opportunity to pursue a PhD in a leading research cluster 
• Access to BlueMat Academy: training workshops, German language support, mentoring, and career development
• Participation in international conferences, research stays, and collaborative networks
• Flexible working conditions, 30 vacation days, family-friendly policies 
• Access to on-campus fitness facilities and health promotion programs

For further information please contact Prof. Dr. Robert Meißner at robert.meissner@tuhh.de - we are pleased to support you.