Postdoc in Computational Chemistry for Quantum Materials Design and Quantum Computing Theory University of Chicago in United States

The Dong Lab at Northeastern University is advertising one or more postdoctoral openings in theoretical and computational chemistry. Research directions include physics-informed computational design of photoenzymes and other light-responsive proteins , artificial intelligence for computational chemistry and molecular design , and potentially quantum algorithms for quantum chemistry on quantum computers . The lab describes its broader mission as developing and applying physics-based and data-driv...

Immediate postdoctoral researcher openings are available in the group of Shyam Kattel at the University of Central Florida . The position is centered on theoretical heterogeneous catalysis and the modeling of electrochemical reactions on surfaces and interfaces . Successful candidates should bring experience in first-principles density functional theory (DFT) , grand canonical DFT (GC-DFT) , microkinetic modeling , kinetic Monte Carlo simulations , and machine learning methods . The group also v...

Oak Ridge National Laboratory (ORNL) is inviting applications for a Postdoctoral Research Associate in Condensed Matter Theory in Oak Ridge, Tennessee, USA. This opportunity is centered on computational materials science , condensed matter physics , quantum materials , and AI/ML-driven materials discovery . The project aims to develop cutting-edge computational methods that combine electronic structure theory and artificial intelligence to study advanced quantum materials. Research topics includ...

PhD opportunity at the University of Southampton in simulations of sodium-ion battery materials , with a focus on atomistic modelling , AI methods , and continuum modelling . The project is part of the Faraday Institution battery multiscale modelling (MSM) project and is aimed at understanding and improving sodium-ion battery performance, especially through the study of hard carbon anodes . The research will use large-scale density functional theory (DFT) with ONETEP , together with machine-lear...

ICMAB-CSIC is advertising a postdoctoral position in Modelling of Organic Materials within the DOMMINO Project . The opportunity is hosted by the Institut de Ciència de Materials de Barcelona (ICMAB-CSIC) , located at the UAB campus in Bellaterra (Barcelona), Spain. The post is focused on research in materials science , with strong relevance to chemistry , physics , and computational modelling of organic materials. Application deadline: 20 September 2026. No funding details, eligibility requirem...