| A deep neural network for molecular wave functions in quasi-atomic minimal basis representation M Gastegger, A McSloy, M Luya, KT Schütt, RJ Maurer The Journal of Chemical Physics 153 (4), 2020 | 60 | 2020 |
| Equivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models L Zhang, B Onat, G Dusson, A McSloy, G Anand, RJ Maurer, C Ortner, ... Npj Computational Materials 8 (1), 158, 2022 | 41 | 2022 |
| Structure and ion transport of lithium-rich Li1+ xAlxTi2− x (PO4) 3 with 0.3< x< 0.5: A combined computational and experimental study D Case, AJ McSloy, R Sharpe, SR Yeandel, T Bartlett, J Cookson, ... Solid State Ionics 346, 115192, 2020 | 32 | 2020 |
| TBMaLT, a flexible toolkit for combining tight-binding and machine learning A McSloy, G Fan, W Sun, C Hölzer, M Friede, S Ehlert, NE Schütte, ... The Journal of Chemical Physics 158 (3), 2023 | 26 | 2023 |
| Obtaining electronic properties of molecules through combining density functional tight binding with machine learning G Fan, A McSloy, B Aradi, CY Yam, T Frauenheim The Journal of Physical Chemistry Letters 13 (43), 10132-10139, 2022 | 21 | 2022 |
| Machine learning enhanced DFTB method for periodic systems: learning from electronic density of states W Sun, G Fan, T van der Heide, A McSloy, T Frauenheim, B Aradi Journal of Chemical Theory and Computation 19 (13), 3877-3888, 2023 | 8 | 2023 |
| Mechanism of Carbon Dioxide and Water Incorporation in Ba2TiO4: A Joint Computational and Experimental Study AJ McSloy, I Trussov, A Jarvis, DJ Cooke, PR Slater, PM Panchmatia The Journal of Physical Chemistry C 122 (2), 1061-1069, 2018 | 8 | 2018 |
| A computational study of doped olivine structured Cd 2 GeO 4: local defect trapping of interstitial oxide ions AJ McSloy, PF Kelly, PR Slater, PM Panchmatia Physical Chemistry Chemical Physics 18 (37), 26284-26290, 2016 | 8 | 2016 |
| Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations P Stishenko, A McSloy, B Onat, B Hourahine, RJ Maurer, JR Kermode, ... The Journal of Chemical Physics 161 (1), 2024 | | 2024 |
| Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery A McSloy, RJ Maurer | | 2020 |
| AI3SD Project: Deep-Learning-Enhanced Quantum Chemistry: Pushing the Limits of Materials Discovery A McSloy, RJ Maurer University of Southampton, 2020 | | 2020 |
| Mechanism of Carbon Dioxide and Water Incorporation in Ba2TiO4: A Materials Degradation Study AJ McSloy, I Trussov, A Jarvis, DJ Cooke, PR Slater, PM Panchmatia Journal of Physical Chemistry C, 2017 | | 2017 |
| Computational modelling of A2BO4 materials for solid oxide fuel cells AJ McSloy Loughborough University, 2017 | | 2017 |
| Molecular Hamiltonians and overlap matrices M Gastegger, A McSloy, M Luya, KT Schütt, RJ Maurer | | |
| Structure and ion transport of lithium-rich Li1+ xAlxTi2− x (PO4) 3 with 0.3 D Case, A McSloy, R Sharpe, S Yeandel, T Bartlett, J Cookson, E Dashjav, ... Loughborough University, 0 | | |
| Mechanism of Carbon Dioxide and Water; Incorporation in Ba2TiO4 A McSloy, I Trussov, A Jarvis, D Cooke, P Slater, P Panchmatia | | |