A roadmap for in silico development and evaluation of industrial NMPC applications: A practical case study. - Santiago Morandi; Philippe Nimmegeers; Markus Schwind; Alessandro Di Pretoro; Flavio Manenti; Filip Logist (Comput. Chem. Eng., 2021)

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