Postdoc in Computational Bioinspired Materials and Biosensor Technologies at Kiel University Kiel University in Germany

📢 Kiel University in Germany is advertising a postdoctoral research scientist position in Computational Materials Design, Molecular Modeling, and Machine Learning within the Chair for Bioinspired Materials and Biosensor Technologies . The project sits at the intersection of materials science , chemistry , computer science , and related interdisciplinary areas. Research topics include molecular mechanics (MM) , molecular dynamics (MD) , QM/DFT , molecular modeling , biomolecular recognition , AI/...

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 ...

PhD opportunity in Computational Chemistry at Instituto de Nanociencia y Materiales de Aragón (INMA), CSIC – Universidad de Zaragoza , in Zaragoza, Spain . The project focuses on porous organic cages and asks whether molecular cages can be turned into programmable tools for controlling light-driven chemistry . The research combines quantum chemistry , molecular dynamics , and machine learning to study how cage architecture and guest encapsulation affect excited states , electron transfer , and s...

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...