Your Job:
Soil organic matter (SOM) and extracellular polymeric substances (EPS) play a central role in soil structure, water retention, nutrient cycling, and plant-microbe interactions. Their molecular behavior has profound effects on soil hydraulic properties and biome stability. However, despite advances in continuum modeling of soil and plant-water systems, the molecular-scale mechanisms underlying these processes remain poorly represented. This PhD project aims to fill that gap by using molecular simulations to quantify the interactions of SOM and EPS with water and minerals, and to connect these insights with larger-scale soil and plant models.
1. Perform molecular dynamics simulations to investigate interactions between soil organic matter (SOM), extracellular polymeric substances (EPS), water, and mineral surfaces
2. Parameterize, set up, and validate molecular-scale models of complex soil-relevant systems
3. Quantify structural, dynamical, and energetic properties governing water retention and soil hydraulic behavior
4. Analyze molecular simulation trajectories to derive mechanisms relevant to nutrient cycling and plant–microbe interactions
5. Translate molecular-scale findings into parameters and concepts usable in continuum-scale soil and plant-water models
6. Contribute to the development and documentation of reusable, open, and reproducible molecular simulation workflows
7. Collaborate with researchers working on soil physics, plant modeling, and multiscale simulation frameworks
8. Present research results at scientific meetings and publish findings in peer-reviewed journals
Your Profile:
9. Master’s degree (or equivalent) in computer science, applied mathematics, physics, engineering, biology, plant and agrosphere sciences, or another relevant natural science;
10. Strong background in Structural Bioinformatics and Molecular Dynamics (MD) simulations
11. Experience in setting up and running MD simulations. Previous usage of the AMBER suite is an asset
12. Knowledge on force fields structures and analyzing molecular trajectories to extract structural and energetic insights
13. Familiarity with assembling complex molecular systems and integrating heterogeneous data sources
14. Solid knowledge of Linux environments, including experience with HPC systems
15. Practical experience working with conda environments and Python scripting
16. Motivation to contribute to the development of an open-source molecular modeling platform for soil components
17. Hands-on experience in using differential calculus
18. Strong interest in using process-based mathematical modeling carbon cycling in soil-plant systems
Our Offer:
We work on the very latest issues that impact our society and are offering you the chance to actively help in shaping the change! We support you in your work with:
19. TEAM & ENVIRONMENT: You will work in a motivated team with an international and interdisciplinary focus – at one of the largest research institutions in Europe
20. RESEARCH & INFRASTRUCTURE: You will have access to excellent scientific and technical facilities for your work, ranging from high-performance computing and advanced imaging platforms to specialized experimental facilities.
21. NETWORKING & EXCHANGE: You will participate in (international) conferences and project meetings and actively build your scientific network
22. WORK-LIFE BALANCE: Flexible working arrangements (including remote working) are generally possible upon agreement and in line with upcoming tasks and (on-site) appointments
23. HEALTH & WELL-BEING: Your health is important to us. You can look forward to a comprehensive company health management programme with a wide range of options, including a beach volleyball court, running groups, yoga classes and much more. In addition, our company medical service and an experienced social counselling team are available to assist you on site
24. SUCCESSFUL START: It is important to us that you quickly settle into the team and are given structured training for your tasks. We also support you from the very beginning and make your start easier with our Welcome Days and Welcome Guide:
25. FAIR REMUNERATION: Depending on your qualifications and assigned responsibilities, you will be classified according to pay group 13 (75%) of the TVöD-Bund. Additionally, you will receive a special payment (“Christmas bonus”) amounting to 60% of one month’s salary. Additional compensation beyond the base salary may be possible. All information about the TVöD-Bund collective agreement can be found on the BMI website (pay scale table on page 69 and following of the PDF download):
26. FIXED-TERM: The position is limited to 4 years
27. SUPPORT FOR INTERNATIONAL EMPLOYEES: Our International Advisory Service makes it easier for international employees to get started
28. KNOWLEDGE & DEVELOPMENT: Your professional development is important to us – we support you specifically and individually, through training and networking opportunities specifically for doctoral candidates (JuDocS):