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Max Planck Institute for Chemistry

PhD/Postdoc in AI-Driven Molecular Modeling for Atmospheric Organic Reactions and Multiphase/Interfacial Chemistry Max Planck Institute for Chemistry in Germany

Degree Level

PhD, Postdoc

Field of study

Computer Science

Funding

Competitive compensation and benefits according to the applicable collective agreement (TVöD/MPG) or stipend. PhD position starts with an initial 3-year contract, extendable depending on progress. Postdoc position starts with an initial 1-year contract, extendable up to 2 to 3 years upon mutual agreement.

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Germany

University

Max Planck Institute for Chemistry

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Keywords

Computer Science
Chemistry
Environmental Science
Materials Science
Quantum Chemistry
Computational Chemistry
Molecular Dynamics
Earth Science
Interfacial Science
Physics
ML

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About this position

Open PhD and Postdoc positions are available at the Max Planck Institute for Chemistry in Mainz, Germany, in the area of AI-driven molecular modeling for atmospheric organic reactions and multiphase/interfacial chemistry.

The project is co-supervised by Prof. Yafang Cheng (Director, Aerosol Chemistry Department) and Dr. Huan Yang (Research Team Leader, Nanoscale Theory and Modeling). Research topics include autonomous reaction discovery using quantum chemistry, machine learning, and automation to map oxidation pathways, as well as AI-augmented molecular simulations using machine-learning force fields and enhanced sampling to study aerosol nucleation, growth, and interfacial processes at the nanoscale.

This opportunity sits at the intersection of chemistry, earth science, environmental science, physics, and computer science. Applicants without prior background in atmospheric or aerosol science are encouraged to apply, and strong candidates from physics, engineering, computational science, or related chemistry fields are particularly welcome.

Funding and appointment terms: competitive compensation and benefits according to TVöD/MPG or a stipend. The PhD position is offered as an initial 3-year contract, extendable depending on progress. The postdoc position is offered as an initial 1-year contract, extendable up to 2–3 years by mutual agreement.

To apply, email your CV, a short statement of interest, and contact details for at least two references to Dr. Huan Yang at [email protected]. PhD applicants must also include a bachelor’s transcript and class/department ranking. Use the subject line “Application – PhD/Postdoc – [Your Name]” and combine materials into a single PDF if possible. Applications are reviewed on a rolling basis until the positions are filled, starting September 2026.

Funding details

Competitive compensation and benefits according to the applicable collective agreement (TVöD/MPG) or stipend. PhD position starts with an initial 3-year contract, extendable depending on progress. Postdoc position starts with an initial 1-year contract, extendable up to 2 to 3 years upon mutual agreement.

What's required

Open to PhD or postdoc applicants. Prior background in atmospheric or aerosol science is not required. Strong candidates from physics, engineering, computational science, or other areas of chemistry are especially welcome. Applicants should have high motivation and strong theoretical, analytical, and coding ability. For PhD applicants only, a bachelor’s transcript and class/department ranking are required, along with CV, a short statement of interest, and contact information for at least two references.

How to apply

Email your CV, short statement of interest, and reference contacts to Dr. Huan Yang at [email protected]. PhD applicants should also include a bachelor’s transcript and class/department ranking. Use the subject line “Application – PhD/Postdoc – [Your Name]” and combine materials into a single PDF if possible.

More information can be found here

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