Bayer AG

Computational Synthesis Designer (m/f/d)


Monheim, Germany

Bayer is a global enterprise with core competencies in the Life Science fields of health care and agriculture. Its products and services are designed to benefit people and improve their quality of life. At Bayer you have the opportunity to be part of a culture where we value the passion of our employees to innovate and give them the power to change.

Computational Synthesis Designer (m/f/d)

The implementation of Data Science along the Bayer Crop Science R&D process is a major strategic activity and crucial to ensure and further strengthen our competitiveness. The Small Molecules Computational Life Sciences (CLS) team is driving and coordinating the implementation of data science for the discovery of agrochemical products. We incorporate data science into the daily R&D practice at our global research sites making it a core scientific discipline next to chemistry, biology, biochemistry and agronomy. In detail your tasks are:

  • Provide atomistic/electronic understanding and insight into concrete synthesis optimization projects, including the role of homogeneous and bio-catalysts
  • From that, define and scope atomistic/electronic modelling projects answering relevant questions jointly with other scientists from CLS and chemistry/biotechnology colleagues
  • Plan and perform respective calculations at various levels of theory, ultimately latest high accuracy, correlated wavefunction methods
  • Interpret the results and translate the findings into tangible chemical actions in close collaboration with scientists from chemistry and bio-technology
  • Evaluate and generalize findings to identify robust protocols applicable to a wide range of related future projects, in close collaboration with Bayer-external partners and academia
  • Propel the use of Data Science and modeling for decision making and promote an understanding of what it can and cannot deliver in the context of atomistic/electronic modelling and synthesis optimization
  • Help building trustful, sustainable and impactful collaborations between CLS and the experimental functions


  • PhD in computational, theoretical or biophysical chemistry, or an equivalent qualification
  • Deep understanding of quantum chemistry and experience in application of correlated first principles methods (e.g. CCSD) while not shying away from semi empirical approximations (e.g. GFN-xTB)
  • Experience in sampling and scanning of potential energy surfaces (e.g. NEB). Well-developed scripting and programming skills to automize workflows (e.g. Python, Perl)
  • Experience in modelling chemical reactions as well as homogeneous and bio-catalysis beneficial
  • Combined scientific rigor with pragmatism towards overcoming concrete synthesis challenges
  • Strong desire and ability to work in interdisciplinary teams with excellent interpersonal and communication skill, willingness and curiosity to learn experimental set-ups and challenges.
  • High level of English communication skills, both verbal and written. German language skills welcome

The Position is limited for 24 months.

Your application
Are you looking for a new challenge where you can show your passion for innovation? Are you interested in working as part of a global team to improve people’s lives? Then send us your online application including cover letter, CV and references.

Bayer welcomes applications from all individuals, regardless of race, national origin, gender, age, physical characteristics, social origin, disability, union membership, religion, family status, pregnancy, sexual orientation, gender identity, gender expression or any unlawful criterion under applicable law. We are committed to treating all applicants fairly and avoiding discrimination.

Please apply via recruiter’s website.

Quote Reference: 177723