| Electrochemical Reduction of Carbon Dioxide to 1‐Butanol on Oxide‐Derived Copper LRL Ting, R García‐Muelas, AJ Martín, FLP Veenstra, STJ Chen, Y Peng, ... Angewandte Chemie 132 (47), 21258-21265, 2020 | 76 | 2020 |
| Mechanistic routes toward C 3 products in copper-catalysed CO 2 electroreduction S Pablo-García, FLP Veenstra, LRL Ting, R García-Muelas, F Dattila, ... Catalysis Science & Technology 12 (2), 409-417, 2022 | 31 | 2022 |
| An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis JM Bofill, J Ribas-Ariño, SP García, W Quapp The Journal of Chemical Physics 147 (15), 2017 | 31 | 2017 |
| Performance of metal-catalyzed hydrodebromination of dibromomethane analyzed by descriptors derived from statistical learning AJ Saadun, S Pablo-García, V Paunovic, Q Li, A Sabadell-Rendón, ... ACS Catalysis 10 (11), 6129-6143, 2020 | 24 | 2020 |
| Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks S Pablo-García, S Morandi, RA Vargas-Hernández, K Jorner, Ž Ivković, ... Nature Computational Science 3 (5), 433-442, 2023 | 19 | 2023 |
| Dimensionality reduction of complex reaction networks in heterogeneous catalysis: From linear‐scaling relationships to statistical learning techniques S Pablo‐García, R García‐Muelas, A Sabadell‐Rendón, N López Wiley Interdisciplinary Reviews: Computational Molecular Science, e1540, 0 | 17* | |
| Generalizing Performance Equations in Heterogeneous Catalysis from Hybrid Data and Statistical Learning S Pablo-García, A Sabadell-Rendón, AJ Saadun, S Morandi, ... ACS Catalysis 12 (2), 1581-1594, 2022 | 10 | 2022 |
| Nuclearity and Host Effects of Carbon‐Supported Platinum Catalysts for Dibromomethane Hydrodebromination AJ Saadun, SK Kaiser, A Ruiz‐Ferrando, S Pablo‐García, S Büchele, ... Small 17 (16), 2005234, 2021 | 9 | 2021 |
| Turning chemistry into information for heterogeneous catalysis S Pablo‐García, M Álvarez‐Moreno, N López International Journal of Quantum Chemistry 121 (1), e26382, 2021 | 8 | 2021 |
| ChemOS 2.0: an orchestration architecture for chemical self-driving laboratories M Sim, MG Vakili, F Strieth-Kalthoff, H Hao, R Hickman, S Miret, ... | 7 | 2023 |
| Atlas: A Brain for Self-driving Laboratories R Hickman, M Sim, S Pablo-García, I Woolhouse, H Hao, Z Bao, ... | 6 | 2023 |
| Self-Driving Laboratories for Chemistry and Materials Science G Tom, SP Schmid, SG Baird, Y Cao, K Darvish, H Hao, S Lo, ... | 1 | 2024 |
| More is Different: Modern Computational Modeling for Heterogeneous Catalysis SP García Carrillo | 1 | 2022 |
| rNets: A standalone package to visualize reaction networks. S Pablo-García, R Pérez-Soto, A Sabadell-Rendón, D Garay-Ruiz, ... | | 2024 |
| In silico chemical experiments in the Age of AI: From quantum chemistry to machine learning and back A Aldossary, JA Campos-Gonzalez-Angulo, S Pablo-Garcia, SX Leong, ... | | 2024 |
| Does one need to polish electrodes in an eight pattern? Automation provides the answer. N Yoshikawa, GD Akkoc, S Pablo-García, Y Cao, H Hao, A Aspuru-Guzik | | 2024 |
| An affordable platform for automated synthesis and electrochemical characterization S Pablo-García, Á García, GD Akkoc, M Sim, Y Cao, M Somers, C Hattrick, ... | | 2024 |
| A graph neural network for predicting the adsorption energy of molecules on metal surfaces S Moriandi, S Pablo-García Nature Computational Science 3, 372–373, 2023 | | 2023 |
| White-box statistical-learning techniques applied on catalysis A Sabadell-Rendón, S Pablo-García, S Morandi, N López Proceedings of International Conference on Frontiers in Electrocatalytic …, 2022 | | 2022 |
| Computational study of organic radicals of technological interest in molecule-based magnetism SP García Carrillo | | 2017 |
