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.
Academic Membership
- Associate Member of the Royal Society of Chemistry (AMRSC)
- Iota Sigma Pi National Honor Society for Women in Chemistry
- Member of the Society of Chemical Industry (SCI)
Awards
- Iota Sigma Pi National Honor Society for Women in Chemistry: $500 Travel Award
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 (Molecular Dynamics)
- Graduate Teaching Assistant - CH222 Experimental Chemistry
- Graduate Teaching Assistant - BS349 Science Communication
Outreach & Widening Participation
