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"Fast evaluation of the adsorption energy of organic molecules on metals ..."
Sergio Pablo-García et al. (2023)
- Sergio Pablo-García
, Santiago Morandi
, Rodrigo A. Vargas-Hernández, Kjell Jorner, Zarko Ivkovic, Núria López, Alán Aspuru-Guzik
:
Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks. Nat. Comput. Sci. 3(5): 433-442 (2023)
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