Postdoc in Coarse-grained Modeling of Nanocarriers for Food Fortification

Postdoc in Coarse-grained Modeling of Nanocarriers for Food Fortification

UvA - University of Amsterdam

Amsterdam, Netherlands

Are you passionate about using computational science to tackle global health challenges? If you enjoy working independently and driving your own research, this project offers the perfect opportunity to do just that.

In this project, you will use coarse-grained simulations to develop stable mineral-loaded nanocarriers composed of a core containing essential mineral nutrients (e.g., Ca, Mg, Zn) and a stabilizing phosphopeptide shell. You will design a novel, highly coarse-grained model of the nanocarrier and use Brownian dynamics simulations to investigate its assembly and disassembly mechanisms in relation to nutrient loading capacity. Based on these insights, you will formulate design rules to predict optimal loading conditions and release mechanisms, supporting experimental optimization.

We expect you to be able to work with a high degree of independence and serve as a driving force for your research subject.

What you are going to do

• Develop a coarse-grained model for peptide-based nanocarriers, informed by experimental data;
• Simulate and predict the maximum micronutrient loading capacity;
• Assess nanocarrier stability using enhanced-sampling simulations;
• Extend the applicability of your protocol to additional systems.

You are expected to:

• Conduct research within the Computational Chemistry theme of HIMS;
• Be an active and engaged member of Computational Chemistry and Computational Soft Matter;
• Bring a solid soft-matter background to develop coarse-grained models;
• Have proven experience in designing and performing coarse-grained simulations (preferably using LAMMPS or HOOMD-blue);
• Demonstrate effective use of advanced analysis tools (e.g., UMAP);
• Possess excellent organisational, communication, and collaboration skills;
• Contribute to the supervision of BSc, MSc, and PhD students;
• Publish and present your results within the project and at international scientific venues.

To validate the computationally proposed hypotheses, collaborations with experimental groups within HIMS (dr. Astefanei) and industrial partners (Friesland Campina, InspectT) are envisioned. The position is available for 1 year starting as soon as possible and is intended for candidates with a strong computational soft matter background.

What we ask of you

• A PhD degree in computational physics/biophysics, computational science, or a related discipline;
• A strong background in soft matter, (bio)physics, (bio)chemistry, or computational science; ML is a plus;
• Demonstrated experience in developing coarse-grained models;
• Experience with advanced simulation and analysis methods (e.g., LAMMPS, HOOMDblue, advanced analysis workflows);
• Strong programming skills (e.g., Linux, C++/Fortran, scripting languages);
• Excellent communication skills in spoken and written English;
• Strong initiative and effective time-management abilities;
• An interest in supervising BSc/MSc students and PhD candidates, and in collaborating with researchers within and beyond the Netherlands.