Postdoc position on discovery of CO2 reduction catalysts

There is an open postdoctoral researcher position to work with Dr. Miguel Caro at Aalto University, Finland, in the Department of Electrical Engineering and Automation, on computational discovery of new catalysts for CO2 reduction. This position is co-supervised by Prof. Hannes Jónsson (University of Iceland).

The project focuses on developing and applying different atomistic simulation methods to study and optimize the reaction pathways leading to reduction of CO2 into more valuable compounds, such as methanol and methane. In particular, this project aims at improving the description of the aqueous/solid interface between catalyst and electrolyte through a combination of 1) density functional theory, 2) machine learning interatomic potentials, 3) QM/MM methodology for molecular dynamics and 4) long-time scale simulation and transition-state theory (e.g., NEB). The successful candidate is expected to be familiar with at least one of these topics. In addition, previous experience modeling electrochemical or electrocatalytical systems, metal nanoparticles or solid/water interfaces will be factored in when shortlisting candidates.

Candidates must hold a PhD or equivalent degree in Physics, Chemistry, Materials Science or a related discipline. Familiarity with Linux and high-performance computing (HPC) environments, scripting (bash and/or Python) as well as strong command of written and spoken English are a requirement. Expertise in scientific programming will be valued.

We expect collaboration with computational and experimental partners during the course of the project. These include Tomi Laurila (Aalto), Gábor Csányi (Cambridge) and Albert Bartók (Warwick). Mobility exchanges to visit coPI Jónsson in Iceland are also possible.

The position is initially for 1 year, starting as soon as May 1st 2020, which is also the preferred starting date. This position can be extended for up to 3.5 years upon mutual agreement contingent on funding availability.

The deadline for applications is February 19th 2020 at 23:59 Finnish time. To apply, fill in and submit the form below. In an effort to improve our gender balance at Aalto University, we particularly encourage female candidates to apply. For informal queries about this position, or if you have trouble with the online application form, you can send an email to Miguel Caro (

Application for this position is now closed.