Postdoctoral Scholar in Computational Chemistry and Machine Learning for Catalysis University of Pittsburgh in United States

Postdoctoral Research Associate at Northeastern University in Boston, Massachusetts, United States. The Lopez Group is seeking a postdoctoral researcher to work on a collaborative project focused on sustainable polymer synthesis from CO₂ . The role combines machine learning , organic chemistry , computational chemistry , and high-throughput quantum chemistry to help design metal-free cyclopropenimine catalysts, substrates, and reaction conditions for making polyurethanes and polycarbonates . Res...

George Washington University is recruiting a Postdoctoral Associate in the Department of Chemistry for a newly funded multi-institutional project on the de novo design of functional and safer chemicals . The project combines computational/theoretical chemistry , molecular simulation , data analysis , and predictive modeling to build mechanistically grounded relationships between molecular properties and chemical function, toxicity, bioaccumulation, and environmental degradation. Initial applicat...

Sandia National Laboratories is advertising a Postdoctoral Appointee in Atomistic Modeling / Machine Learning for its Computational Materials Science Department. The role focuses on combining density functional theory (DFT) , machine learning (ML/AI) , and atomistic simulation to accelerate multiscale modeling of reactive systems and catalysis. Research activities include building a high-throughput DFT workflow to sample chemical reactions, developing ML frameworks to predict reaction events, in...

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...

Lawrence Berkeley National Laboratory is advertising a postdoctoral position in the Energy Technologies & Systems Division in Berkeley, California, USA . The role sits in the Jain (HackingMaterials) group and the Applied Energy Materials group , working on autonomous AI-driven materials discovery and catalyst discovery across two DOE/ARPA-E projects. Research themes include building simulation agents to predict materials properties such as Li-ion conductivity , validating predictions against aut...