| Automatic proposal of multistep reaction mechanisms using a graph-driven search I Ismail, HBVA Stuttaford-Fowler, C Ochan Ashok, C Robertson, ... The Journal of Physical Chemistry A 123 (15), 3407-3417, 2019 | 39 | 2019 |
| Graph-driven reaction discovery: progress, challenges, and future opportunities I Ismail, R Chantreau Majerus, S Habershon The Journal of Physical Chemistry A 126 (40), 7051-7069, 2022 | 19 | 2022 |
| Successes and challenges in using machine-learned activation energies in kinetic simulations I Ismail, C Robertson, S Habershon The Journal of Chemical Physics 157 (1), 2022 | 18 | 2022 |
| Traversing dense networks of elementary chemical reactions to predict minimum‐energy reaction mechanisms C Robertson, I Ismail, S Habershon ChemSystemsChem 2 (4), e1900047, 2020 | 14 | 2020 |
| Eat, sleep, code, repeat: tips for early-career researchers in computational science I Ismail, S Chaudhuri, D Morgan, CD Woodgate, Z Fakhoury, JM Targett, ... The European Physical Journal Plus 138 (12), 1094, 2023 | | 2023 |
| Data for Successes and challenges in using machine-learned activation energies in kinetic simulations I Ismail, C Robertson, S Habershon University of Warwick, Department of Chemistry, 2022 | | 2022 |
| Data for Automatic proposal of multi-step reaction mechanisms using a graph-driven search I Ismail, H Stuttaford-Fowler, C Ochan-Ashok, C Robertson, S Habershon University of Warwick, Department of Chemistry, 2019 | | 2019 |
