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project around the development of AI models for predicting promising catalyst candidates to integrate molecular modelling techniques, experimental data bases and materials data bases together with novel AI
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. Applicants are invited to propose a research project around the development of AI models for predicting promising catalyst candidates to integrate molecular modelling techniques, experimental data bases and
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build using molecular dynamics, the MACE foundation models and density functional theory. Main Tasks and responsibilities: AI4LSQUANT aims to accelerate quantum modelling by learning fast, accurate
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Materials group (NANOSFUN) is a research group of the Catalan Institute of Nanoscience and Nanotechnology (ICN2) that focuses on the research and development of novel molecular and polymeric functional