Postdoc for AI-enhanced atomistic simulations in Dral’s group

The Dral’s group is seeking an outstanding postdoc for AI-enhanced atomistic simulations. The position is a unique opportunity to plunge into the frontiers of atomistic research in collaboration with leading experts on related topics.

The position is open to candidates with expertise in at least one of the following topics:

• Computational organic chemistry
• Simulations of materials (solids, interfaces, etc.)
• Simulations of biochemical processes (e.g., related to drug design)
• Development of quantum chemical methods or machine learning models.
• Implementations in quantum chemical or machine learning software.

What are we looking for in an ideal candidate?

• Excellent mastery of essential skills for one of the above topics.
• Creativity. Out-of-the-box thinking to solve problems. Own ideas that a candidate may explore during the postdoctoral stay.
• Independence (ability to finish the projects without much supervision).
• Resilience and ability to take on challenging tasks.
• Skills in writing high-quality papers.
• Teamwork and communication skills.
• Strong motivation.
• At least two publications as the first author in the Q1 journals.
• Age: below 35 (a requirement by the university, non-negotiable)

The candidates are expected to work in a highly dynamic environment in the Dral’s group at Xiamen University. The University sports one of the most beautiful campuses in the world, with many facilities ensuring a high quality of life. Salaries are negotiable and commensurate with the applicant’s qualifications and experience. Suitable candidates might stay in the group for 2–3 years. The initial appointment is based on a 1-year contract, renewable, subject to performance, fulfillment of contractual requirements, and mutual agreement.

How to apply: Interested candidates should send their applications to Prof. Pavlo O. Dral at dral@xmu.edu.cn with:

1. Statement of Interest
2. CV
3. Publication list
4. Names and emails of referees

About the PI:

Pavlo O. Dral is a Full Professor and an Assistant Dean in international admissions matters at the Department of Chemistry, Xiamen University. He is also a Visiting Professor in Institute of Physics, Nicolaus Copernicus University in Toruń, Poland (from 2024). His research is focused on AI-enhanced computational chemistry, for which he founded the MLatom package and co-founded the Xiamen Atomistic Computing Suite, and contributed to three semi-empirical program packages VAMP, Empire, and MNDO. Pavlo O. Dral is the author of more than 80 publications cited 6162 times (h-index 31) including publications in Adv. Sci. (2), Nat. Comm. (2), and Nat. Rev. Chem. (1). He is serving on the Editorial Boards of Machine Learning: Science and Technology, Artificial Intelligence Chemistry, and SciPost Chemistry. He edited and contributed to the book Quantum Chemistry in the Age of Machine Learning and authored an online course Modern Computational Chemistry and AI with MLatom@XACS. In 2021, Pavlo O. Dral was awarded an Outstanding Youth (Overseas) by the National Natural Science Foundation of China. He was the gold medal winner of the 36th International Chemistry Olympiad, 2004, Kiel, Germany. Pavlo O. Dral did his PhD with Prof. Tim Clark at the University of Erlangen–Nuremberg in 2010–2013 and a postdoc with Prof. Walter Thiel at the Max Planck Institute for Coal Research in 2013–2019. More information is available on Dral’s group website dr-dral.com.