Postdoc: Atomistic Modelling of Biobased Adhesive Interfaces

TU Delft, NL; Delft; Remote; EUR 42,000 - 64,000; Full time

Job summary

TU Delft is seeking a postdoctoral researcher to advance atomistic simulations of adhesive–composite interfaces in biobased thermally debondable adhesives. You will combine DFT and MD to probe interfacial interactions and mechanical performance, while developing MLIPs as needed.

Collaboration with experimental teams will connect molecular insights to practical materials development. The role sits within the Computational Materials Science section, Team Dey, at TU Delft, contributing to

Qualifications

• PhD in Materials Science and Engineering, Physics, Chemistry, or related field.
• Strong expertise in atomistic simulation techniques, particularly DFT and MD; MLIPs is a plus.
• Strong publication record and conference participation.
• Excellent written and verbal English communication.

Responsibilities

• Perform DFT and MD simulations to investigate adhesive–composite interfacial interactions, calculate adhesion energies, and characterise interfacial structure and wetting behaviour.
• Investigate molecular mechanisms governing adhesion and interfacial stability, examining how adhesive chemistry and molecular structure influence binding strength and stability.
• Perform tensile and shear deformation simulations to evaluate mechanical performance and identify failure mechanisms.
• Benchmark existing interatomic potentials for modelling adhesive–composite interfaces and develop MLIPs where appropriate.
• Collaborate closely with experimental researchers and project partners; contribute to publications and future research proposals.

Skills

Atomistic simulations

English proficiency

Education

PhD in Materials Science and Engineering, Physics, Chemistry, or related

Tools

DFT

Molecular Dynamics (MD)

Machine-learning interatomic potentials (MLIPs)

Job description

TU Delft is seeking a postdoctoral researcher to advance atomistic simulations of adhesive–composite interfaces in biobased thermally debondable adhesives. You will combine DFT and MD to probe interfacial interactions and mechanical performance, while developing MLIPs as needed.

Collaboration with experimental teams will connect molecular insights to practical materials development. The role sits within the Computational Materials Science section, Team Dey, at TU Delft, contributing to