PhD Position in Computational Nano-Electrochemistry

The Computational Chemistry Group at the Van 't Hoff Institute for Molecular Sciences (HIMS), University of Amsterdam, offers a four-year PhD project on electrochemical processes at the nanoscale, relevant to green hydrogen production, CO2 electroreduction and advanced batteries. The candidate builds multi-scale simulation workflows that combine density functional theory, ab initio molecular dynamics and machine-learning interatomic potentials to model solid-liquid electrochemical interfaces, and studies reaction mechanisms, solvent dynamics and electric double-layer effects in nano-confined systems, in close collaboration with experimental electrochemists and catalysis researchers.

Applications close on 15 December 2026.

Master's degree (or about to obtain one) in chemistry, physics, computational science, materials science or chemical engineering; solid background in quantum mechanics, statistical mechanics, machine learning or atomistic simulation (DFT, molecular dynamics, Python/Linux or C++ programming); good English.