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Leiden University

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PhD Position in Multiscale Rational Design and Simulation of Soft Electronics Leiden University in Netherlands

Degree Level

PhD

Field of study

Computer Science

Funding

This is a full-time PhD appointment, initially for one year and extendable by a further three years after a positive evaluation. The gross monthly salary is €3,204–€4,051 under pay scale P of the Collective Labour Agreement for Dutch Universities. The package includes an 8% holiday allowance, an 8.3% end-of-year bonus, training and career-development opportunities, sabbatical leave, and an individual terms-and-conditions choices model. International candidates may be eligible for a substantial t

Deadline

Dec 15, 2026

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Country

Netherlands

University

Leiden University

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Keywords

Computer Science
Chemistry
Chemical Engineering
Materials Science
Biology
Computational Chemistry
Quantum Mechanics
Automation
Physics
ML

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Posted Yesterday

About this position

Leiden University is offering a PhD project on developing a genuine multiscale rational design strategy for soft electronics. The research addresses the challenge of designing soft electronic materials with precisely controlled properties across correlated length scales, where chemical or structural changes can produce strongly nonlinear or disruptive effects.

The candidate will extend EvoMD, an existing framework for coarse-grained molecular optimisation, into a nested strategy for designing both structure and function across multiple scales. The project combines quantum, atomistic, and mesoscopic modelling with molecular optimisation, machine learning for multi-objective optimisation, and automated FAIR simulation workflows.

Two scientific themes are central. The first examines how protein functions such as proton pumping are retained when proteins are embedded in designer mixed lipid/polymer membranes, including how protein conformational sampling responds to a structured matrix and how the matrix is affected in return. The second investigates quantum sensitivity and whether sensitivity problems at the smallest scale can be mitigated in optimisation schemes.

The project is connected to broader work on automated simulation of transition-metal-containing molecules across the quantum-mechanical/classical boundary, including WALP-based metallopeptide insertion into lipid membranes for charge transfer inspired by natural photosynthesis.

The PhD candidate will join Agur Sevink’s research group in the Leiden Institute of Chemistry, within the Metals in Catalysis, Biomimetics & Inorganic Materials group. This provides links to experimental research and an interdisciplinary environment spanning chemistry, physics, biology, materials science, computational modelling, and software development. Visual workflow development is conducted in collaboration with Dr. Xinmeng Li of BoundaryComputing.

The group selects simulation methods according to the scientific challenge and encourages collaboration, learning, and exploration across disciplines.

Funding details

This is a full-time PhD appointment, initially for one year and extendable by a further three years after a positive evaluation. The gross monthly salary is €3,204–€4,051 under pay scale P of the Collective Labour Agreement for Dutch Universities. The package includes an 8% holiday allowance, an 8.3% end-of-year bonus, training and career-development opportunities, sabbatical leave, and an individual terms-and-conditions choices model. International candidates may be eligible for a substantial t

What's required

Applicants should be highly qualified and motivated graduates with a master's degree or equivalent in physical chemistry, physics, or a related area, with excellent grades. Experience with data-driven methods and optimisation and with modern simulation techniques at quantum, atomistic, and coarse-grained scales is expected. Applicants should have good communication skills, good to excellent English proficiency, and a keen interest in interdisciplinary research spanning chemistry, physics, and biology. Candidates must live and be officially registered in the Netherlands or be willing to relocate when starting.

How to apply

Apply through the AcademicTransfer vacancy page using the Apply now button. Upload a motivation letter, CV, bachelor's and master's transcripts with grades, and details for three references, quoting vacancy number 17043.

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