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Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks
Pablo-García, Sergio; Morandi, Santiago; Vargas-Hernández, Rodrigo A.; Jorner, Kjell; Ivković, Žarko; López, Núria; Aspuru-Guzik, Alán
01-05-2023
00 - Ciència i coneixement. Investigació. Cultura. Humanitats
Química
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10.1038/s43588-023-00437-y
Springer Nature
         

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