Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Santiago Morandi"'
Publikováno v:
Anales de la Facultad de Medicina, Vol 9, Iss 2, Pp e201-e201 (2022)
La cirugía del cáncer de recto y ano se ha desarrollado considerablemente en las últimas décadas. En función de dichos avances, se ha observado una disminución en la morbimortalidad operatoria, así como también una mejoría en el pronóstico
Externí odkaz:
https://doaj.org/article/98f92c945fbc456fbf076521971ccd6c
Autor:
Sergio Pablo-García, Santiago Morandi, Rodrigo A. Vargas-Hernández, Kjell Jorner, Žarko Ivković, Núria López, Alán Aspuru-Guzik
Publikováno v:
Nature Computational Science. 3:433-442
Modeling in heterogeneous catalysis requires the extensive evaluation of the energy of molecules adsorbed on surfaces. This is done via density functional theory but for large organic molecules it requires enormous computational time, compromising th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d201d7ca48fceaccbc9749dea5af2d3c
https://doi.org/10.1038/s43588-023-00437-y
https://doi.org/10.1038/s43588-023-00437-y
Autor:
Albert Sabadell-Rendón, Kamila Kaźmierczak, Santiago Morandi, Florian Euzenat, Daniel Curulla-Ferré, Núria López
Multiscale techniques should allow for the integration of detailed atomistic information on materials and reactions to predict the catalytic performance of full-scale reactors. Although many attempts have been presented in the literature, difficultie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::55aaca63c3b059c000e9e9417b9904ba
https://doi.org/10.26434/chemrxiv-2023-zms3n
https://doi.org/10.26434/chemrxiv-2023-zms3n
Autor:
Sergio Pablo-García, Albert Sabadell-Rendón, Ali J. Saadun, Santiago Morandi, Javier Pérez-Ramírez, Núria López
Publikováno v:
ACS Catalysis, 12 (2)
Activity equations trying to mimic experimental catalytic performance derived from reaction profiles and microkinetic models have been the state of the art in modeling in the last decades. This approach has been able to reproduce semiquantitatively a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96318c4149ca3c9d1e6a688622c15089
https://doi.org/10.1021/acscatal.1c04345
https://doi.org/10.1021/acscatal.1c04345
Publikováno v:
Proceedings of the International Conference on Frontiers in Electrocatalytic Transformations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5d9b21aa23615cc50887fc5cae8e861d
https://doi.org/10.29363/nanoge.interect.2022.023
https://doi.org/10.29363/nanoge.interect.2022.023
Publikováno v:
Proceedings of the International Conference on Frontiers in Electrocatalytic Transformations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3e2c66dd95e831417d91c20c0809372
https://doi.org/10.29363/nanoge.interect.2022.012
https://doi.org/10.29363/nanoge.interect.2022.012
Autor:
Sergio Pablo-García, Santiago Morandi, Rodrigo Alejandro Vargas-Hernández, Kjell Jorner, Núria López, Alán Aspuru-Guzik
Modeling of solid-state material-molecule interfaces in heterogeneous catalysis requires the extensive evaluation of the energy of molecules on surfaces. Obtaining the binding energy of many configurations of large organic molecules requires a vast a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2a79ebf551c58e3103b41939c71c770
https://doi.org/10.26434/chemrxiv-2022-m719x
https://doi.org/10.26434/chemrxiv-2022-m719x
Autor:
Alessandro Di Pretoro, Philippe Nimmegeers, Filip Logist, Flavio Manenti, Markus Schwind, Santiago Morandi
Publikováno v:
Computers and chemical engineering
Linear Model Predictive Control (MPC) can be considered as the state of the art advanced process control technology in model-based automation of continuous chemical processes. For (semi-)batch processes, that often present a strongly nonlinear (or ev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37a146242ff4b758e4a295e7ef34bbb5