Comparative study of oxygen reduction reaction mechanism on nitrogen-, phosphorus-, and boron-doped graphene surfaces for fuel cell applications M Del Cueto, P Ocón, JML Poyato The Journal of Physical Chemistry C 119 (4), 2004-2009, 2015 | 96 | 2015 |
Effect of Increasing the Descriptor Set on Machine Learning Prediction of Small Molecule-Based Organic Solar Cells ZW Zhao, M del Cueto, Y Geng, A Troisi Chemistry of Materials 32 (18), 7777-7787, 2020 | 68 | 2020 |
Enigmatic HCl+ Au (111) reaction: a puzzle for theory and experiment G Fuchsel, M del Cueto, C Diaz, GJ Kroes The Journal of Physical Chemistry C 120 (45), 25760-25779, 2016 | 53 | 2016 |
New Perspectives on CO2–Pt(111) Interaction with a High-Dimensional Neural Network Potential Energy Surface M del Cueto, X Zhou, L Zhou, Y Zhang, B Jiang, H Guo The Journal of Physical Chemistry C 124 (9), 5174-5181, 2020 | 40 | 2020 |
Role of van der Waals forces in the diffraction of noble gases from metal surfaces M Del Cueto, AS Muzas, G Füchsel, F Gatti, F Martín, C Díaz Physical Review B 93 (6), 060301, 2016 | 29 | 2016 |
High-throughput virtual screening for organic electronics: a comparative study of alternative strategies ÖH Omar, M del Cueto, T Nematiaram, A Troisi Journal of Materials Chemistry C 9 (39), 13557-13583, 2021 | 25 | 2021 |
Data-Driven Analysis of Hole-Transporting Materials for Perovskite Solar Cells Performance M del Cueto, C Rawski-Furman, J Aragó, E Ortí, A Troisi The Journal of Physical Chemistry C, 2022 | 15 | 2022 |
Limitations of machine learning models when predicting compounds with completely new chemistries: possible improvements applied to the discovery of new non-fullerene acceptors ZW Zhao, M Del Cueto, A Troisi Digital discovery 1 (3), 266-276, 2022 | 15 | 2022 |
Determining usefulness of machine learning in materials discovery using simulated research landscapes M Del Cueto, A Troisi Physical Chemistry Chemical Physics 23 (26), 14156-14163, 2021 | 13 | 2021 |
Quantum Stereodynamics of H2 Scattering from Co(0001): Influence of Reaction Channels M Cueto, X Zhou, AS Muzas, C Díaz, F Martín, B Jiang, H Guo The Journal of Physical Chemistry C 123 (26), 16223-16231, 2019 | 11 | 2019 |
Exploring surface landscapes with molecules: rotationally induced diffraction of H 2 on LiF (001) under fast grazing incidence conditions M Del Cueto, AS Muzas, MF Somers, GJ Kroes, C Díaz, F Martín Physical Chemistry Chemical Physics 19 (25), 16317-16322, 2017 | 11 | 2017 |
diffractive scattering under fast grazing incidence using a DFT-based potential energy surface AS Muzas, M del Cueto, F Gatti, MF Somers, GJ Kroes, F Martín, C Díaz Physical Review B 96 (20), 205432, 2017 | 9 | 2017 |
Accurate simulations of atomic diffractive scattering from KCl (0 0 1) under fast grazing incidence conditions M del Cueto, AS Muzas, F Martín, C Díaz Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2020 | 8 | 2020 |
Performance of van der Waals DFT approaches for helium diffraction on metal surfaces M del Cueto, RJ Maurer, A Al Taleb, D Farías, F Martin, C Díaz Journal of Physics: Condensed Matter 31 (13), 135901, 2019 | 8 | 2019 |
Experimental and theoretical study of rotationally inelastic diffraction of H2 (D2) from methyl-terminated Si (111) KJ Nihill, ZM Hund, A Muzas, C Díaz, M Del Cueto, T Frankcombe, ... The Journal of Chemical Physics 145 (8), 2016 | 8 | 2016 |
Prominent out-of-plane diffraction in Helium scattering from a methyl-terminated Si(111) surface M del Cueto, A S Muzas, T Frankcombe, F Martín, C Díaz Physical Chemistry Chemical Physics, 2019 | 2 | 2019 |
Stereodynamics effects in grazing-incidence fast-molecule diffraction M Del Cueto, AS Muzas, F Martín, C Díaz Physical Chemistry Chemical Physics 24 (32), 19541-19551, 2022 | | 2022 |
rsc. li/pccp M del Cueto, A Troisi | | 2021 |
Theoretical study of noble gases diffraction from Ru (0001) using van der Waals DFT-based potentials M Del Cueto, AS Muzas, F Martín, C Díaz Journal of Physics: Conference Series 635, 032004, 2015 | | 2015 |
Understanding the rotational excitation in scattering of D2 from CH3-Si (111) C Díaz, A Muzas, M Del Cueto, TJ Frankcombe, F Martín, ZM Hund, ... Journal of Physics: Conference Series, 2015 | | 2015 |