Idil Ismail
PhD Title: Automatic Prediction and Characterisation of Complex Chemical Reactions
PhD Supervisor: Scott Habershon
Academic Background
| 2019-Present | PhD in Chemistry | University of Warwick | |
| 2018-2019 | MSc (by research) Chemistry | University of Warwick | |
| 2015-2018 | BSc Biochemistry | University of Salford | First Class |
Research Interests
I am a PhD student in the HetSys doctoral training program. My current research interests are in developing machine learning models to predict and characterize complex chemical reactions.
Conference Presentations
List of Conference Talks and Posters
Relevant Publications
[1] I. Ismail, R. C. Majerus & S. Habershon, Graph-driven reaction discovery: Progress, challenges, and future opportunities, J. Phys. Chem. A, 2022, DOI: https://doi.org/10.1021/acs.jpca.2c06408
[2] I.Ismail, C.Robertson & S.Habershon, Successes and challenges in using machine learned activation energies in kinetic simulations, J. Chem. Phys, 2022, DOI: https://doi.org/10.1063/5.0096027 *[Editor's Pick]
[3] C. Robertson, I. Ismail & S. Habershon, Traversing dense networks of elementary chemical reactions to predict minimum-energy reaction mechanisms, ChemSystemsChem, 2019, DOI: https://doi.org/10.1002/syst.201900047
[4] I. Ismail, H. B.V.A. Stuttaford. Fowler, C. Ochan. Ashok, C. Robertson & S. Habershon, Automatic Proposal of Multi-Step Reaction Mechanisms Using a Graph-Driven Search, J. Phys. Chem. A, 2019, 123 (15), pp 3407–3417 DOI: https://doi.org/10.1021/acs.jpca.9b01014
Teaching
- Graduate Teaching Assistant - CH222 Computational Chemistry
- Graduate Teaching Assistant - CH222 Experimental Chemistry
- Graduate Teaching Assistant - BS349 Science Communication
Outreach & Engagement
- Advisory board member | Enhancing research culture at the University of Warwick
- Seminar Organiser | Computational Toolkit Seminar Series
- Host | Multiscale Musings Podcast
- Chair | Warwick NEMP
