Peter S. Rice

Computational nano-electrochemistry at the University of Amsterdam This PhD project sits in the Computational Chemistry Group at the Van 't Hoff Institute for Molecular Sciences (HIMS), part of the Faculty of Science at the University of Amsterdam. The research focuses on how electrochemical processes unfold at the nanoscale, with an emphasis on modeling complex solid-liquid interfaces under operating conditions. You will work on fundamental questions at the intersection of theory, simulation, and electrocatalysis. The project aims to bridge atomistic physics and real-world electrochemistry by studying electric double layers, charge transfer, catalytic reactivity, solvent behavior, and reaction mechanisms in nano-confined systems. The work is directly relevant to energy conversion and storage applications including green hydrogen production, CO2 electroreduction, and advanced batteries. The research combines advanced computational chemistry and multi-scale modeling. You will develop and apply workflows based on Density Functional Theory, ab initio molecular dynamics, and machine-learning interatomic potentials to simulate electrochemical interfaces. The role involves collaboration with experimental electrochemists and catalysis researchers, including partners in the Advanced Nano-electrochemistry Institute of the Netherlands (ANION consortium) such as AMOLF and the University of Twente. The position is embedded in an international, collaborative research environment at Amsterdam Science Park. The Computational Chemistry Group is described as interactive and curiosity-driven, with weekly group meetings, strong ties to national research networks, and access to national and local high-performance computing facilities. The project offers the opportunity to publish in peer-reviewed journals, present at scientific conferences, and contribute to teaching undergraduate and master’s chemistry courses while supervising student projects. The successful candidate will join a supportive research setting focused on theoretical and computational chemistry, with hands-on mentorship and close interaction across the group and the wider consortium.