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Idil Ismail
Idil Ismail
Department of Chemistry and Applied Biosciences, ETH Zürich
Verified email at phys.chem.ethz.ch
Title
Cited by
Cited by
Year
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
452019
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
252022
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
192022
Traversing dense networks of elementary chemical reactions to predict minimum‐energy reaction mechanisms
C Robertson, I Ismail, S Habershon
ChemSystemsChem 2 (4), e1900047, 2020
152020
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
12023
Accelerating chemical reaction discovery using graph-driven searches and machine learning strategies
I Ismail
https://wrap.warwick.ac.uk/id/eprint/186919/, 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
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