• Implement, maintain and document automated workflows for computational chemistry and spectroscopy data, in close alignment with data and metadata standards defined in FAIR4ChemNL.
• Set up and maintain the storage and organization of computational data (file systems, databases, repositories) in line with FAIR principles and institutional/national solutions (e.g. Yoda, iRODS or comparable platforms), enabling long‑term, reusable archiving of research data.
• Develop and maintain scripts and tools (e.g. in Python, shell) to:
  • capture essential input, output and metadata from simulation codes,
  • automate routine data processing steps,
  • generate standardized data packages for sharing with project partners.
• Support the integration of computational and experimental data by working with colleagues in other FAIR4ChemNL work packages to harmonise data formats, identifiers and metadata for spectroscopy and materials characterization.
• Provide hands‑on technical support to PhD candidates, postdocs and staff in the Ensing group for:
  • using and adapting the developed workflows,
  • organizing and backing up simulation data,
  • troubleshooting issues in data pipelines and computational environments.
• Contribute to internal documentation, short how‑to guides and (where appropriate) public project deliverables on computational data workflows and good data management practices.

You have/are:

• A completed Master’s degree in computer science, (computational) chemistry, physics, chemical engineering, or a related field, with a strong affinity for computational research and data management.
• Solid experience with Linux-based environments and command‑line tools.
• Good scripting/programming skills (e.g. Python, Bash); experience with version control (Git) is an advantage.
• Familiarity with computational chemistry or materials simulation workflows (e.g. quantum chemistry, molecular dynamics, or related tools) is a strong plus.
• Some experience or strong interest in research data management, FAIR data, and reproducible workflows (e.g. use of electronic lab notebooks, data repositories, or workflow engines).
• The ability to work systematically and document your work clearly, with an eye for robustness and long‑term maintainability.
• Excellent communication skills in oral and written English.

• A proactive, service‑oriented attitude and strong time‑management skills; you enjoy collaborating with researchers in an academic environment.

We offer a part‑time appointment (0.25 FTE) at the Faculty of Science for the duration of the FAIR4ChemNL project, initially for 12 months. An extension maybe possible based on available funding combined with adequate performance. Preferred starting date to be agreed upon together.

The gross monthly salary, based on 38 hours per week and dependent on relevant experience, ranges between € 3,708 - € 5,057 (scale 9). A favourable tax agreement, the ‘30% ruling’, may apply to non-Dutch applicants. The Collective Labour Agreement of Dutch Universities is applicable.

Besides the salary and a vibrant and challenging environment at Science Park we offer you multiple fringe benefits:

• 232 holiday hours per year (based on fulltime) and extra holidays between Christmas and 1 January;
• multiple courses to follow from our Teaching and Learning Centre;
• multiple courses on topics such as leadership for academic staff;
• multiple courses on topics such as time management, handling stress and an online learning platform with 100+ different courses;
• 7 weeks birth leave (partner leave) with 100% salary;
• partly paid parental leave;
• the possibility to set up a workplace at home;
• a pension at ABP for which UvA pays two third part of the contribution;
• the possibility to follow courses to learn Dutch;

Are you curious to read more about our extensive package of secondary employment benefits, take a look here.