Santiago Morandi

Institut Català d'Investigació Química — Spain

Energy · Physical Sciences

6h-index183citations23works2.42yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

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Research Topics

CO2 Reduction Techniques and Catalysts(7), Machine Learning in Materials Science(6), Electrocatalysts for Energy Conversion(5), Electrochemical Analysis and Applications(3), Catalysis and Oxidation Reactions(3)

Publications23 total

Evaluating the transfer learning from metals to oxides with GAME-Net-Ox
Digital Discovery·2025· 1 citedOpen Access
Microenvironment effects in electrochemical CO2 reduction from first-principles multiscale modelling
Nature Catalysis·2025· 12 cited
adsmox
ioChem-BD Computational Chemistry Datasets·2025Open Access
Microenvironment effects from first principles multiscale modeling of electrochemical CO2 reduction
2025· 1 citedOpen Access
Microenvironment effects from first principles multiscale modeling of electrochemical CO2 reduction
2025Open Access
Evaluating the role of microenvironments in electrochemical CO2 reduction via multiscale modeling
2024
A Foundational Model for Reaction Networks on Metal Surfaces
2024· 6 citedOpen Access
GAME-Net-UQ
ioChem-BD Computational Chemistry Datasets·2024Open Access
Microenvironment effects from first principles multiscale modeling of electrochemical CO2 reduction
2024· 2 citedOpen Access
FG-dataset
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
FG-dataset
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Automated Multiscale Universal Simulation Environment
2023Open Access
Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks
Nature Computational Science·2023· 93 citedOpen Access
Game-Net
ioChem-BD Computational Chemistry Datasets·2023
Automated MUltiscale simulation environment
Digital Discovery·2023· 12 citedOpen Access
Resultados del tratamiento quirúrgico del cáncer de recto y ano en el Hospital Español
Anales de la Facultad de Medicina·2022· 1 citedOpen Access
White-box statistical-learning techniques applied on catalysis
2022
Delineating the Reaction Mechanism and Cation Effects for Electrocatalytic CO2 Reduction to C2+ products using Graph Theory and Microkinetic Modelling Analyses
2022
Fast Evaluation of the Adsorption Energy ofOrganic Molecules on Metals via GraphNeural Networks
2022· 5 citedOpen Access
GNN
ioChem-BD Computational Chemistry Datasets·2022· 2 citedOpen Access
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Frequent Co-authors

Núria López(14), Ranga Rohit Seemakurthi(7), Sergio Pablo‐García(5), Francesca Lorenzutti(5), Sophia Haussener(5), Albert Sabadell‐Rendón(4), Rodrigo A. Vargas–Hernández(3), Evan Johnson(3), Pavle Nikacevic(3), Kjell Jorner(2), Alán Aspuru‐Guzik(2), Evan F. Johnson(2), Pavle Nikačević(2), Kamila Kaźmierczak(2), Florian Euzenat(2), Daniel Curulla‐Ferré(2), Oliver Loveday(2), Tim Renningholtz(2), Thomas van Hout(2), Jordi Morales-Vidal(2)