Doctoral Researcher (PhD Student) – Area‑Selective Atomic Layer Deposition (AS‑ALD) Simulations

We are looking for a motivated researcher to develop and apply advanced simulation protocols for realistic and dynamic modelling of area‑selective atomic layer deposition processes. The position is part of the Academy Research Fellowship project “SAMPALE” under the supervision of Dr. Joakim Jestilä and the Inorganic Materials Modelling group.

Responsibilities

• Design and carry out large‑scale reaction modelling and enhanced sampling simulations for AS‑ALD on surfaces.
• Develop and validate machine‑learning interatomic potentials (MLIPs) trained on density functional theory (DFT) data.
• Investigate mechanisms of surface selectivity, degradation, and loss of selectivity in AS‑ALD processes.
• Explore the use of small‑molecule inhibitors and various growth/non‑growth areas to design new AS‑ALD protocols.
• Analyse surface and thin...