AI3SD Intern Project: High-throughput generation of structural isomers for fast development of molecular datasets to train machine learning algorithms

Published date: 25 September 2021

Additional Information: Anna Cotton: I am a second year BSc Chemistry student at Swansea University, and will be completing the AI3SD Summer Internship under the supervision of Dr Francisco Martin-Martinez. I have only been exposed to computational chemistry recently and have thoroughly enjoyed the wide variety of skills I have already gained. Whilst at university, I have been a member of the tennis and cricket society, which has allowed me with time to relax away from my Chemistry degree! I am a qualified level 2 tennis coach, which means I coach children aged 4-18. I have completed my Gold DofE award, as well as Silver Ten Tors award, which has been a great achievement. I was also appointed as Head Girl of my school in my last year of sixth form, this was a great honour which allowed me to give back to the school which has given so much to me! I am really looking forward to developing my chemistry and computational skills throughout this internship, and am very privileged to be given this opportunity. Francisco Martin Martinez: I am a Lecturer at the Chemistry Department of Swansea University, and Research Affiliate at the Massachusetts Institute of Technology (MIT). I am passionate about sustainablity, people, data, and education. I lead a research group focused on computational chemistry and artificial inteligence for the development of bioinspired biobased nanomaterials that tackle challenges to sustainable development goals, e.g., climate action, resilient infrastructure, precision agriculture, and energy storage. Social inquiry, inclusion, and equity are essential to sustainable development, and therefore I advocate for social justice and socially-directed science and technology, collaborating with Station1, an educational non-profit that fosters social-driven innovation. I am also the Athena SWAN officer for the Chemistry Department. Outside academia, I am member of the advisory board of Sweetwater Energy, and integrated biorefinery, Science Policity collaborator for the Society of Spanish Researchers in the UK (SRUK), and I have served as President of the Association of Spanish Scientist in the USA (ECUSA).

Local EPrints ID: 452279

URI: http://eprints.soton.ac.uk/id/eprint/452279

DOI: doi:10.5258/SOTON/AI3SD0141

PURE UUID: 377fc465-777d-4c6b-befb-65f85a13d8d4

ORCID for Samantha Kanza: orcid.org/0000-0002-4831-9489

ORCID for Jeremy G. Frey: orcid.org/0000-0003-0842-4302

Date deposited: 03 Dec 2021 17:30

Last modified: 17 Mar 2024 03:51