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Number of items: 8.
Journal Article
Ismail, Idil, Chaudhuri, Shayantan, Morgan, Dylan, Woodgate, Christopher D., Fakhoury, Ziad, Targett, James M., Pilgrim, Charlie and Maino, Carlo (2023) Eat, sleep, code, repeat : tips for early-career researchers in computational science. The European Physical Journal Plus, 138 (12). pp. 1-17. doi:10.1140/epjp/s13360-023-04732-5 ISSN 2190-5444.
Ismail, Idil, Chantreau Majerus, Raphael and Habershon, Scott (2022) Graph-driven reaction discovery : progress, challenges, and future opportunities. The Journal of Physical Chemistry A, 126 (40). pp. 7051-7069. doi:10.1021/acs.jpca.2c06408 ISSN 1089-5639.
Ismail, Idil, Robertson, Christopher and Habershon, Scott (2022) Successes and challenges in using machine-learned activation energies in kinetic simulations. The Journal of Chemical Physics, 57 (1). 014109. doi:10.1063/5.0096027 ISSN 0021-9606.
Robertson, Christopher, Ismail, Idil and Habershon, Scott (2019) Traversing dense networks of elementary chemical reactions to predict minimumβenergy reaction mechanisms. ChemSystemsChem, 2 (4). e1900047. doi:10.1002/syst.201900047 ISSN 2570-4206.
Ismail, Idil, Stuttaford-Fowler, Holly B. V. A., Ochan-Ashok, Curtis, Robertson, Christopher and Habershon, Scott (2019) Automatic proposal of multistep reaction mechanisms using a graph-driven search. The Journal of Physical Chemistry A, 123 (15). pp. 3407-3417. doi:10.1021/acs.jpca.9b01014 ISSN 1089-5639.
Dataset
Ismail, Idil, Robertson, Christopher and Habershon, Scott (2022) Data for Successes and challenges in using machine-learned activation energies in kinetic simulations. [Dataset]
Robertson, Christopher, Ismail, Idil and Habershon, Scott (2020) Data for Traversing dense networks of elementary chemical reactions to predict minimum-energy reaction mechanisms. [Dataset]
Ismail, Idil, Stuttaford-Fowler, Holly, Ochan-Ashok, Curtis, Robertson, Christopher and Habershon, Scott (2019) Data for Automatic proposal of multi-step reaction mechanisms using a graph-driven search. [Dataset]
This list was generated on Thu Mar 28 19:48:17 2024 GMT.