Postdoctoral Research Scientist in Computational Materials Design, Molecular Modeling and Machine Learning at Kiel University Kiel University in Germany

Postdoc position at Kiel University, Germany in the Chair for Bioinspired Materials and Biosensor Technologies (Prof. Zeynep Altintas), Institute for Materials Science, Faculty of Engineering. The project focuses on computational design of bioinspired materials , including synthetic receptors, molecularly imprinted polymers, nanocomposites, and functional interfaces. The work combines molecular modeling , molecular dynamics , QM/DFT , and in-house machine learning , with experimental validation....

Paul Drude Institute for Solid State Electronics (PDI) in Berlin is recruiting for two research positions in a newly funded NSF–DFG DMREF project: a PhD student and a Postdoctoral Researcher . The project, “AI-Driven Platform for 2D Materials Synthesis and Discovery,” sits at the intersection of computational materials science , physics , materials science , computer science , and experimental 2D materials research. The work combines generative AI , density functional theory (DFT) , molecular dy...

University of Manchester is advertising a Postdoctoral Research Associate in Polymeric Materials Modelling based in Manchester, England, United Kingdom . The project focuses on the molecular modelling of cellulose oligomers and the self-assembly of cellulose in the plant cell wall . The successful candidate will use a combination of machine learning , molecular dynamics simulations , and high-performance computing (including Isambard AI) to screen large arrays of cellulose-like structures with d...

Aditya Nandy, Assistant Professor of Chemical and Biomolecular Engineering at the University of California, Los Angeles (UCLA), is recruiting up to 2 PhD students for the Molecular Modeling Laboratory starting Fall 2027. The group works on molecular modeling and computational research spanning physics-based and data-driven methods, including quantum chemistry, molecular dynamics, continuum modeling, and generative AI. Research interests include AI for chemistry, computational chemistry, multi-sc...

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 ...