Automated multi-objective reaction optimisation: which algorithm should I use?

Müller, P; Clayton, AD; Manson, J; Riley, S; May, OS; Govan, N; Notman, S; Ley, Steven; Chamberlain, TW; Bourne, RA

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Authors

Müller, P

Clayton, AD

Manson, J

Riley, S

May, OS

Govan, N

Notman, S

Publication Date

2022-03-29

Journal Title

Reaction Chemistry and Engineering

ISSN

2058-9883

Publisher

Royal Society of Chemistry (RSC)

Type

Article

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Citation

Müller, P., Clayton, A., Manson, J., Riley, S., May, O., Govan, N., Notman, S., et al. (2022). Automated multi-objective reaction optimisation: which algorithm should I use?. Reaction Chemistry and Engineering https://doi.org/10.1039/d1re00549a

Abstract

An open-source reaction simulator was designed to benchmark the performance of multi-objective optimisation algorithms using chemistry-inspired test problems, which was validated using an experimental self-optimisation platform.

Sponsorship

PM thanks Defence Science and Technology Laboratory and University of Leeds for funding. ADC thanks UCB, AstraZeneca and University of Leeds for funding. SVL thanks the ACS Authur Cope Award for funding.

Embargo Lift Date

2023-12-25

Identifiers

External DOI: https://doi.org/10.1039/d1re00549a

This record's URL: https://www.repository.cam.ac.uk/handle/1810/334606

Rights

Licence URL: http://www.rioxx.net/licenses/all-rights-reserved

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