Postdoc in Artificial Intelligence for Materials Discovery at Institut Català de Nanociència i Nanotecnologia (ICN2)

The Institut Català de Nanociència i Nanotecnologia (ICN2) in Barcelona, Spain, is offering a postdoctoral position in artificial intelligence for materials discovery. The successful candidate will join the MAIAMI project, a multimodal AI platform designed to accelerate the discovery of sustainable electrocatalysts and advanced materials. The project is a collaboration between ICN2 and IREC, funded with €1.4 million by the Spanish National Research Agency. The postdoc will focus on the computational core of an autonomous discovery loop, integrating machine learning with physical experimentation. Key responsibilities include developing and applying advanced AI methods such as Gaussian Processes, Bayesian Optimization, and generative AI, as well as implementing robust MLOps practices and maintaining FAIR-by-design scientific databases. The research will contribute to the development of sustainable energy technologies, including high-entropy alloys for electrocatalysts and metal-air batteries. The MAIAMI platform combines advanced simulations, robotic experimental systems, and explainable AI to create a self-refining virtual scientific assistant. The project emphasizes responsible human-in-the-loop frameworks and aims to centralize experimental data for improved predictive modeling. The research group is led by Dr. Andres Henao (AI Platform), CSIC Researcher Neus G. Bastús (Inorganic Nanoparticles Group), CSIC Researcher Belén Ballesteros (Electron Microscopy Unit), and CSIC Prof. Pablo Ordejón (Theory and Simulation Group, Director of ICN2). Applicants must have a Ph.D. in Computer Science, Engineering, Mathematics, Physics, or a related field, with strong expertise in machine learning, optimization, and computational research. The position is based in Barcelona, Spain, and offers the opportunity to work at the intersection of AI, materials science, and sustainable energy research. For more information, candidates are encouraged to review the project details and reach out with their CV and a brief description of their research interests.