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Leiden University

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PhD position: developing a genuine multi-scale rational design strategy for soft electronics Leiden University in Netherlands

Degree Level

PhD

Field of study

Computer Science

Funding

Full-time PhD position with salary range €3204—€4051 gross per month for an initial one-year appointment, extendable by three years after positive evaluation; additional holiday allowance (8%) and end-of-year bonus (8.3%) are mentioned.

Deadline

Dec 15, 2026

Country flag

Country

Netherlands

University

Leiden University

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Keywords

Computer Science
Chemistry
Biomedical Engineering
Materials Science
Biology
Quantum Mechanics
Automation
Multi-objective Optimization
Rational Design
Atomistic Simulation
Physics
ML

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About this position

This PhD project at Leiden University tackles the challenge of designing soft electronic materials whose properties can be controlled across multiple, correlated length scales. The work sits at the intersection of chemistry, physics, biology, and materials modelling, with a strong emphasis on how molecular changes can produce non-linear or even disruptive effects in function.

The successful candidate will help extend EvoMD, an existing rational design framework for coarse-grained molecular optimisation, into a nested multi-scale strategy that connects structure and function from the quantum to the mesoscopic level. The project combines hybrid modelling, molecular optimisation, machine learning for multi-objective optimisation, and workflow automation, with an emphasis on FAIR simulation workflows and practical integration between methods and scientific communities that traditionally work separately.

Scientific questions include how protein function such as proton pumping is affected when embedded in designer mixed lipid/polymer membranes, and how quantum sensitivity at the smallest scale can be handled within optimisation schemes. The project also forms part of a broader effort around automated simulation of transition-metal-containing molecules across the QM/classical boundary, including work relevant to metallopeptides in lipid membranes and charge-transfer processes inspired by natural photosynthesis.

The PhD student will be based in the Leiden Institute of Chemistry within the Metals in Catalysis, Biomimetics & Inorganic Materials (MCBIM) group, in the research group of Agur Sevink. The advert also mentions collaboration with Xinmeng Li of BoundaryComputing on visual workflow development, and highlights a direct link to experimental research in a dynamic interdisciplinary environment at Leiden’s Bio Science Park.

Funding details

Full-time PhD position with salary range €3204—€4051 gross per month for an initial one-year appointment, extendable by three years after positive evaluation; additional holiday allowance (8%) and end-of-year bonus (8.3%) are mentioned.

What's required

Applicants should hold a master’s degree or equivalent in physical chemistry, physics, or a related area, with excellent grades. The ideal candidate should have experience with data-driven methods and optimization, modern simulation techniques at the quantum, atomistic and coarse-grained scales, good communication skills, and good to excellent English proficiency. A strong interest in multidisciplinary research at the frontier of chemistry, physics and biology is expected. Candidates must live in or be willing to relocate to the Netherlands; a pre-employment screening may be part of the selection procedure, and the university expects willingness to obtain the Basic Teaching Qualification (BKO) within two years if needed. Dutch language competence expectations are also stated for international staff.

How to apply

Apply via the AcademicTransfer application button and upload the required documents: motivation letter, CV, bachelor and master transcripts with grades, and three references with names, affiliations, and email addresses. For questions about the role, contact Agur Sevink at [email protected]. Submit your application by 15 December 2026.

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