2 Works

AI3SD Video: Skills4Scientists - Poster & Careers Symposium - Poster Compilation

AndrĂ¡s Vekassy, Aspen Fenzl, Erhan Gulsen, Hewan Zewdu, Jamie Longio, Maximilian Hoffman, Rhyan Barrett, Rubaiyat Khondaker, Anna Catton, Hongyang Dong, Kevin Calvache, Kaylee Patel, King Wong, Louis Greenhalgh, Rebecca Jane Clements, Thomas Allam, Sarah Scripps, Gavin Man, Samuel Munday, Michael Blakey, Graeme M. Day, Chris-Kriton Skylaris, Simon J. Coles, Stephen Gow & William Brocklesby
This video forms part of the Skills4Scientists Series which has been organised as a joint venture between the Artificial Intelligence for Scientific Discovery Network+ (AI3SD) and the Physical Sciences Data-Science Service (PSDS). This series ran over summer 2021 and aims to educate and improve scientists skills in a range of areas including research data management, python, version control, ethics, and career development. This series is primarily aimed at final year undergraduates / early stage PhD...

AI3SD video: internship talk-high-throughput generation of chemical isomers for the development of molecular models of biocrude oils

Francisco Martin-Martinez, Jeremy G. Frey & Mahesan Niranjan
The identification of chemical species in complex fluid materials like biocrude oils, is problem that can be largely solved by a computational optimisation of a molecular design space to expand the limited experimental data. This is specially useful due to the intrinsic difficulties to characterise this bitumen-like materials. We used available experimental data to generate molecular models of any biocrude oil from different biomass sources (e.g., chitin, coffee grounds, algae), and we expand the molecular...

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