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Computational Chemist (m/f/d)

We as Global Digital Services enable BASF's digitalization. Understanding chemical reactivity and materials properties on a molecular scale is at the heart of…...

Digitalization is a key differentiator to position BASF as leading chemical company for our customers. We as Global Digital Services enable BASF’s digitalization. In agile teams, we develop innovative digital solutions for BASF and its customers, create new exciting customer experiences and business growth, and drive efficiencies in processes. We provide IT that works and offer know-how and access to latest technologies in the areas of cloud computing, blockchain or big data.


Understanding chemical reactivity and materials properties on a molecular scale is at the heart of chemistry. Within our Quantum Chemistry Team, a main focus is the study of chemical reactions, in particular in the condensed phase. Furthermore, we establish structure-property relationships with the help of quantum chemically computable descriptors.

You will be primarily responsible for the study of chemical reactions.

This comprises to set up and verify reaction mechanisms as well as highly accurate prediction of chemical kinetics for engineering applications.

You will establish and maintain collaborations with academic research groups in that domain evaluating new approaches and exploring new application areas.

A tight integration into interdisciplinary teams from various BASF R&D units is a key success factor.


Studies in chemistry or physics with an outstanding PhD

Profound knowledge in molecular quantum chemistry

Experience in modeling chemical reactions and theoretical organic chemistry

Creative, motivated and communicative team player, who is able to convince us with strong presentation skills

Basic or application knowledge in areas like statistics, machine learning or artificial intelligence is advantageous


Onboarding to help you settle in quickly, ensuring you are part of the BASF team from day one.

International assignments where you will build networks and experience different cultures.

Flexible work arrangements so that you can balance your working life and private life.

Your contribution to a sustainable future because sustainability lies at the heart of everything we do and is a driver of growth. ABOUT US

If possible, please upload the documents into one single PDF file. Please note that we do not return paper applications including folders. Therefore please submit only copies and no originals.

First information about our application process can be found here:

Do you have any questions about the application process or the position? Please reach out to Iris Christiane Kappeler,, Tel.: +49 30-20055403

BASF Digital Solutions GmbH offers innovative solutions for the design and optimization of business processes for the BASF Group around the world. As an experienced business solution provider, we create added value for BASF by developing new business models with digital technologies, thereby increasing the efficiency and effectiveness of processes through IT and digital solutions. Learn more about BASF Digital Solutions GmbH at

At BASF, the chemistry is right. Because we are counting on innovative solutions, on sustainable actions, and on connected thinking. And on you. Become a part of our formula for success and develop the future with us – in a global team that embraces diversity and equal opportunities irrespective of gender, age, origin, sexual orientation, disability or belief.