PhD Position in Computational Nano-Electrochemistry

Doctorat / PhD Type de contrat : TEMPORARY Date limite de candidature : 2026-12-15T23:59:59+01:00

Are you fascinated by how electrochemical processes unfold at the nanoscale, and do you want to use advanced computer simulations to help drive the clean energy transition? Are you eager to develop and apply quantum chemical and machine-learning methods to model complex solid-liquid interfaces? Then join the Computational Chemistry Group at the University of Amsterdam! Join our team! The Computational Chemistry Group at the Van 't Hoff Institute for Molecular Sciences (HIMS) is looking for a motivated PhD candidate in Computational Nano-Electrochemistry. Controlling electrochemical reactions at the nanoscale is essential for next-generation energy conversion and storage technologies, such as green hydrogen production, CO2 electroreduction, and advanced batteries. In this project, you will bridge the gap between fundamental atomistic physics and real-world electrocatalysis by modeling electric double layers, charge transfer, and catalytic reactivity under operating conditions. You will work in an international, collaborative team of theoretical and computational chemists at Amsterdam Science Park, closely interacting with experimental partners within the Advanced Nano-electrochemistry Institute of the Netherlands (ANION consortium) e.g. AMOLF, University of Twente etc. This is what you are going to do Develop and apply multi-scale simulation workflows, combining Density Functional Theory (DFT), ab initio molecular dynamics, and machine learning interatomic potentials, to model electrochemical interfaces at the nanoscale. Investigate reaction mechanisms, solvent dynamics, and electric double-layer effects in nano-confined electrochemical systems. Collaborate closely with experimental electrochemists and catalysis researchers to validate theoretical models and guide material design. Publish your research findings in peer-reviewed journals and present your work at national and international scientific conferences. Complete a PhD thesis within four years and assist in teaching undergraduate and master’s chemistry courses and supervising student projects. This is what we ask of you You hold (or are about to obtain) a Master’s degree (or equivalent) in Chemistry, Physics, Computational Science, Materials Science, or Chemical Engineering. You have a solid background in quantum mechanics, statistical mechanics, machine-learning or atomistic simulations (such as DFT, molecular dynamics, or scientific programming in Python/Linux or C++). When tackling complex scientific problems, you take initiative, think critically, and enjoy exploring creative solutions. You communicate your ideas clearly in English, both in writing and in discussions with colleagues from diverse scientific backgrounds. You enjoy working collaboratively in an international team and actively share code, methods, and insights with fellow group members. This is what we offer you You will…