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Carbon Charted on Metals

Researchers of the Institute of Theoretical and Computational Chemistry (IQTC) of the University of Barcelona (UB), belonging to the Computational Materials Science Laboratory ( CMSL ) , and in collaboration with the University of Sofia in Bulgaria have charted the C interaction with transition metal surfaces, by combining high-throughput computing together with Artificial Intelligence (AI) and Machine Learning (ML) tools, setting up a reference study whose interest spans over Surface Science, Nanotechnology, Materials Science, and Heterogeneous Catalysis

This reference study has been recently published in ACS Catalysis. Further details in https://doi.org/10.1021/acscatal.2c01562