PhD/Postdoctoral Position in Interpretable Machine Learning for Catalytic Reaction Network Discovery

PhD in Germany, International Max Planck Research School

Summary: The Fritz Haber Institute of the Max Planck Society is seeking a skilled candidate for a PhD or Postdoctoral position focused on developing interpretable machine-learning frameworks for kinetic multiphase reaction-network discovery in the catalytic conversion of renewable feedstocks. This position will be part of a collaborative project within the SusMax network.

PhD/Postdoctoral Position in Interpretable Machine Learning for Catalytic Reaction Network Discovery

Designation

PhD/Postdoctoral Researcher (M/F/D)

Research Area

Interpretable Machine Learning for Catalytic Reaction Network Discovery

Location

Fritz Haber Institute, Berlin, Germany

Eligibility/Qualification

  • For PhD positions: A Master’s degree in natural sciences (Chemistry, Physics, or Materials Science), preferably with a specialization in theoretical chemistry or applied mathematics.
  • For Postdoc positions: A PhD in the relevant field with an appropriate track record of first-author scientific publications.
  • Experience with data-driven machine learning methods (e.g., PINN, Sparse Symbolic Regression).
  • Proficient in Python programming.
  • High willingness to learn new computational approaches.
  • Strong collaborative spirit and teamwork skills.
  • Excellent command of English.

Job Description

The successful candidate will:

  • Integrate multiscale first-principles modeling, sparse symbolic regression, and adaptive experimental design in self-driving laboratory settings.
  • Elucidate desired catalytic pathways and degradation mechanisms at inorganic–organic interfaces.
  • Contribute to algorithm development, computational tool implementation, and validation with experimental partners.

The PhD position is initially limited to three years, while the Postdoc position is for one year, with the option for extension.

How to Apply

Interested candidates should submit their application via our online application portal, including the following documents:

  • Cover letter
  • Curriculum vitae
  • Names and email addresses of at least three references

Last Date to Apply

August 31, 2025

For further inquiries, please contact:

  • Dr. Gianmarco Ducci (ducci@fhi.mpg.de)
  • Dr. Christoph Scheurer (scheurer@fhi.mpg.de)

Note: The successful candidates are expected to start between October 1st and December 1st, 2025.

Diversity and Inclusion

The Max Planck Society values diversity and encourages applications from women and underrepresented minorities, as well as individuals with disabilities.

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