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Postdoc in computational elucidation of CO2 valorisation - DTU Chemistry

Danmarks Tekniske Universitet



If you are ambitious and seeking to contribute to developing novel chemistry for a sustainable future using advanced computational methods, then a possibility is right here for you.

A 27-month postdoc position is available in chemistry at the Department of Chemistry, DTU from October 1, 2026, or as soon as possible. The work will be carried out in an international environment at DTU Chemistry and Oslo University, Norway, under the supervision of Associate Professor Martin Nielsen, Professor Anders Riisager and Associate Professor Ainara Nova, respectively. The first 12-month of the project work will be performed in the labs at Oslo University.

We are interested in the computational characterization, analysis, and elucidation of catalytic systems for hydrogenative CO2 valorisation under environmentally friendly conditions. We use a range of computational tools to aid our further development. You will be collaborating with a PhD student (position also open), who will be developing an experimental approach to the mechanistic understanding.

Responsibilities and qualifications
Your overall focus and responsibility will be to develop advanced computational models that successfully describe the dynamics of strongly polar solvents in conjunction with intra- and intermolecular interactions in the catalytic cycle of a CO2 transforming process. The reaction system will contain a hybrid catalytic system, and the synergism of solvent and catalyst will need to be clarified. Molecular dynamics, standard DFT protocols, and highly accurate wave function methods, such as DLPNO-CCSD(T), will be utilized to address this task. Excellent skills in English in both writing and speaking is a prerequisite.

The PhD student on the project will be responsible for experimental tools for studying and analysing the systems to accelerate the understanding of reaction pathways and improved use of desired rather than undesired routes. Your work thus will strengthen the detection and optimization of sustainable chemistry reactions.

The interdisciplinary nature of the project makes it a prerequisite that you have a broad interest in the application of organic synthesis and catalysis for the study of chemical reaction systems.

Your primary tasks will include to:

  • Develop computational methods that apply to polar solvent models for carbon capture and utilization in conjunction with known and new catalysts,
  • contribute theoretically to the mapping of reaction pathways by detailed solvent analysis,
  • apply the computational methods to the discovery and optimization of a hybrid catalytic system,
  • contribute to teaching and supervising BSc and MSc student projects and disseminating your work to peers and the public when relevant.

As a formal qualification, you must hold a PhD degree (or equivalent).

We offer
DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility.

Salary and terms of employment
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The allowance will be agreed upon with the relevant union.

The period of employment is 2 years and 3 months. The starting date is 01.10.2026 (or according to mutual agreement). The position is a full-time position.

You can read more about career paths at DTU here.
Further information
Further information may be obtained from Associate Professor Martin Nielsen ([email protected]).

You can read more about DTU Chemistry at www.kemi.dtu.dk

If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU – Moving to Denmark.

Application procedure
Your complete online application must be submitted no later than 15 July 2026 (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:

  • Application (cover letter)
  • CV
  • Academic Diplomas (MSc/PhD – in English)
  • List of publications

Applications received after the deadline will not be considered.

All interested candidates irrespective of age, gender, disability, race, religion or ethnic background are encouraged to apply. As DTU works with research in critical technology, which is subject to special rules for security and export control, open-source background checks may be conducted on qualified candidates for the position.

DTU – For the benefit of society since 1829
DTU is one of Europe's leading elite technical universities. Through research and education at an international top level, we create solutions to the major societal challenges of our time and help secure Europe's global leadership in sustainable technological development. Since Hans Christian Ørsted founded DTU almost 200 years ago, our mission has remained the same: We develop and create value through the natural and technical sciences for the benefit of society. DTU has 13,800 students, 1,600 PhD students, and 6,500 employees. We work in an international environment and have an inclusive, stimulating, and informal work culture. DTU has campuses in all parts of Denmark and in Greenland and collaborates with the best universities around the world.

Location
Kgs. Lyngby, Denmark

Apply Before
2026-07-15T21:59:00+00:00

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Danmarks Tekniske Universitet

Hovedkontor: Anker Engelunds Vej 101, 2800 Kongens Lyngby

DTU udvikler teknologi for mennesker. Med vores forskning og uddannelser i international topklasse er vi med til at skabe en bedre verden, og vi bidrager til løsningen af de globale udfordringer formuleret i FN’s 17 verdensmål for en bæredygtig udvikling. Vi er Danmarks største ingeniøruddannelsessted, og vi arbejder hver dag med uddannelse, forskning, myndighedsrådgivning og innovation, som bidrager til vækst og velfærd.

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