1.

A publication made by 2019 cohort student, Kobi Felton & Daniel Wigh

Multi-task Bayesian Optimization of Chemical Reaction

K. Felton, D. Wigh, A. Lapkin

NIPS ML4Molecules Workshop, 2020

2.

A publication made by 2019 cohort student, Kobi Felton

Summit: Benchmarking Machine Learning for Reaction Optimisation

K. Felton, J. Rittig, A. Lapkin 

Chemistry Methods, 2020

3.

A pre-print article made by 2019 cohort student, Rory Geeson

Automated calibration of a poly(oxymethylene) dimethyl ether oxidation mechanism using knowledge-graph technology

Jiaru Bai1, Rory Geeson1,2, Feroz Farazi1, Sebastian Mosbach1,3, Jethro Akroyd1,3, Eric J. Bringley1, Markus Kraft1,3,4

Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273

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