PhD scholarship in Catalysis Informatics - DTU Physics

Jobbeskrivelse

Are you passionate about using data science and artificial intelligence to accelerate the green transition and address climate change? Do you want to transform the way we design catalysts for the sustainable fuels and chemicals of tomorrow? Do you have a background in data science, computational chemistry, physics, or material science? Then this PhD opportunity at the Technical University of Denmark (DTU) might be the perfect fit for you. We're seeking a highly motivated PhD student to join a new interdisciplinary collaboration between DTU Physics and DTU Compute.

Responsibilities and qualifications

This PhD project aims to build a next-generation catalyst informatics platform that integrates machine learning, text mining, image analysis, and data fusion to make sense of the enormous but scattered knowledge in research literature. By structuring and learning from heterogeneous data, you will create predictive models to guide the discovery of new catalysts. But more importantly, you will be part of a team pursuing a catalyst informatics platform that addresses key challenges in the field, such as poor selectivity and energy efficiency in power-2-x reactions.

The project offers an excellent opportunity for work between data science and computational catalysis. We are looking for a candidate with extensive experience in data science, computational chemistry, and the Design of Experiments. You'll work with Professor Line Clemmensen & Assistant Professor Sneha Das (DTU Compute), both methodological experts in statistics and AI, and Associate Professor Alexander Bagger (DTU Physics), a domain expert in electrocatalysis.

The successful candidate must have a MSc in Computer Science, Data Science, Physics, Chemistry, Chemical Engineering, Materials Science, or related areas, as well as a general interest in AI/ML & catalysis for sustainable energy solutions. The candidate must display good communication skills in English, both written and spoken, be innovative and able to work both independently and in cross-disciplinary teams, as well as with international academic collaborators and industrial partners.

Application procedure

Your complete online application must be submitted no later than 10 December 2025 (23:59 Danish time). Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply now", fill out the online application form, and attach all your materials in English in one PDF file. The file must include:

• A letter motivating the application (cover letter)
• Curriculum vitae
• Grade transcripts and BSc/MSc diploma (in English) including official description of grading scale

You may apply prior to obtaining your master's degree but cannot begin before having received it. Applications received after the deadline will not be considered.