Postdoc Atomistic Modelling of Adhesive-composite Interfaces
TU Delft · Posted Nov 11, 2026
- Delft, South Holland, Netherlands
- On-site
- Temporary
Uncover the molecular mechanisms governing adhesive composite interfaces and advance atomistic simulation approaches for the development of sustainable, thermally debondable adhesives.
Compensation
Salary and benefits are in accordance with the Collective Labour Agreement for Dutch Universities.
Responsibilities
- Perform Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations to investigate adhesive–composite interfacial interactions, calculate adhesion energies, and characterise interfacial structure and wetting behaviour for different adhesive molecules.
- Investigate the molecular mechanisms governing adhesion and interfacial stability, examining how adhesive chemistry and molecular structure influence binding strength and the thermodynamic stability of the adhesive–composite interface.
- Perform tensile and shear deformation simulations to evaluate the mechanical performance of adhesive–composite interfaces, identify failure mechanisms and investigate how molecular interactions influence resistance to interfacial separation.
- Assess the suitability of existing interatomic potentials for modelling adhesive–composite interfaces by benchmarking their predictions against DFT calculations and, where necessary, develop machine-learning interatomic potentials (MLIPs) to enable accurate and efficient atomistic simulations.
- Collaborate closely with experimental researchers and project partners to connect atomistic insights with experimental observations and support the development of durable and thermally debondable adhesives.