Postdoc - Atomic Scale Modelling of catalysts under Reaction Conditions (m/f/d)

WELCOME TO BASF

We are a leading global research organization with over 3000 employees working in the field of material and analytical science, chemical synthesis, process development, bioscience, catalysis and digitalization. With our creative and diverse teams as well as our cutting-edge research, we help to make our customers more successful and drive the sustainability transformation.

WHAT YOU CAN EXPECT

Join our enthusiastic global team of experts in the Quantum Chemistry research group at BASF SE. We are seeking a highly motivated postdoctoral researcher to support our cutting-edge research and development activities in materials modelling and machine learning, with a strong emphasis on developing methods to model catalysts under realistic reaction conditions.

• You will develop and benchmark machine-learned force fields tailored for complex materials, with a particular focus on aspects relevant to heterogeneous catalysis. 
• You will design and implement methods and protocols to study materials under realistic reaction conditions, enabling more accurate and predictive modeling of catalytic behavior. 
• Furthermore, you will drive strategic initiatives in data-driven catalysis research- intergrating synthetic or simulated data with experimental datasets and applying explainalble AI techniques.
• You will collaborate within a diverse, interdisciplinary team of chemists, researchers, and data scientists -within and outside BASF to deliver state-of-the-art solutions in quantum chemistry and materials science.

WHAT YOU OFFER

• a recent PhD in a field related to electronic structure methods and atomic-scale simulations of solid-state materials
• essential: Demonstrated expertise in the development or application of machine-learned force fields and/or other machine learning techniques for materials design
• proven proficiency in Python programming, with hands-on experience in data science workflows 
• strong background in theoretical catalysis, enhanced sampling techniques, and/or large-scale molecular dynamics simulations is highly desirable
• excellent communication skills and fluency in English, both written and spoken 

WHAT WE OFFER

• Opportunity to develop and apply cutting-edge computational approaches for solving industrial problems
• Networks - get to know different perspectives, ways of thinking and fields of work
• Information about the compensation can be found here
• Flexible working hours 

HOW TO REACH US

• ​​​​Paula Männecke (Talent Acquisition), paula.maennecke@basf.com will be happy to answer your questions for this position. You are welcome to book an appointment online
• You can also reach our recruiting team here
• First information about our application process can be found here

ABOUT US

BASF SE, located in Ludwigshafen am Rhein, is the corporate headquarters of the BASF Group and part of the Rhine-Neckar Metropolitan Region. BASF stands for competence in chemistry since 1865 and is represented today in the world's major consumer markets, with a wide range of products. As the largest employer in the region, BASF SE offers multiple career opportunities for students, university graduates and professionals providing also training in over 30 professions. Leisure, sports, culture and a good infrastructure characterize the Rhine-Neckar Metropolitan Region, in which BASF is also involved with numerous activities. Learn more about BASF SE at on.basf.com/BASFSE_LU

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Become a part of our winning formula for success and develop the future witha us - in a global team that embraces inclusion and equal opportunities irrespective of gender, age, origin, sexual orientation, disability or belief.