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Simultaneous reaction- and analytical model building using dynamic flow experiments to accelerate process development

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Flow chemistry as a tool for high throughput experimentation

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Exploring the chemical space of phenyl sulfide oxidation by automated optimization

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A self-optimised approach to synthesising DEHiBA for advanced nuclear reprocessing, exploiting the power of machine-learning

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Adaptive mixed variable Bayesian self-optimisation of catalytic reactions

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A Chemist's guide to multi-objective optimization solvers for reaction optimization

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Adaptive boundary constraint in Bayesian optimization: a general strategy to prevent futile experiments in complex reaction optimization

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Integrating mechanistic modelling with Bayesian optimisation: accelerated self-driving laboratories for RAFT polymerisation

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Digital Discovery, 2025
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Ultra-fast and sustainable formal [3 + 3] cycloadditions enabled by mixed variable optimization on an automated micromole scale flow platform

Kouakou E. Konan, Aravind Senthil Vel, Abollé Abollé, Daniel Cortés-Borda and François-Xavier Felpin

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Multi-objective Bayesian optimisation using q-noisy expected hypervolume improvement (qNEHVI) for the Schotten–Baumann reaction

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Revisiting the Paradigm of Reaction Optimization in Flow with a Priori Computational Reaction Intelligence

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Angew Chem Int Ed, 2024, 63
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Self-Optimizing Flow Reactions for Sustainability: An Experimental Bayesian Optimization Study

Florian L. Wagner, Peter Sagmeister, Thomas G. Tampone, Vidhyadhar Manee, Dauzhan Yerkozhanov, Frederic G. Buono, Jason D. Williams and C. Oliver Kappe

ACS Sustainable Chem. Eng., 2024, 12, 10002
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Automated Optimization of a Multistep, Multiphase Continuous Flow Process for Pharmaceutical Synthesis

Sarah L. Boyall, Holly Clarke, Thomas Dixon, Robert W. M. Davidson, Kevin Leslie, Graeme Clemens, Frans L. Muller, Adam D. Clayton, Richard A. Bourne and Thomas W. Chamberlain

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Revisiting the Paradigm of Reaction Optimization in Flow with a Priori Computational Reaction Intelligence

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Closed‐Loop Multi‐Objective Optimization for Cu–Sb–S Photo‐Electrocatalytic Materials’ Discovery

Yang Bai, Zi Hui Jonathan Khoo, Riko I Made, Huiqing Xie, Carina Yi Jing Lim, Albertus Denny Handoko, Vijila Chellappan, Jianwei Jayce Cheng, Fengxia Wei, Yee‐Fun Lim and Kedar Hippalgaonkar

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Efficient multi-objective Bayesian optimization of gas–liquid photochemical reactions using an automated flow platform

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Chemical Engineering Journal, 2024, 501, 157685
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Enhancing Optimization of Mixed Variables on a Robotic Flow Platform: Integrating Statistical Filtering with Nelder–Mead and Bayesian Methods

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Local reaction condition optimization via machine learning

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Autonomous chemistry: Navigating self-driving labs in chemical and material sciences

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Self-driving laboratories with artificial intelligence: An overview of process systems engineering perspective

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Emerging trends in the optimization of organic synthesis through high-throughput tools and machine learning

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Recent Developments in Automated Reactors for Plasmonic Nanoparticles

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Bayesian Self‐Optimization for Telescoped Continuous Flow Synthesis

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Carrier‐Free Enzyme Immobilizates for Flow Chemistry

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Flash Organometallic Catalysis Uncovered by Continuous Microfluidic Devices

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Bayesian Self‐Optimization for Telescoped Continuous Flow Synthesis

Adam D. Clayton, Edward O. Pyzer‐Knapp, Mark Purdie, Martin F. Jones, Alexandre Barthelme, John Pavey, Nikil Kapur, Thomas W. Chamberlain, A. John Blacker and Richard A. Bourne

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Self-Driving Laboratory for Polymer Electronics

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Chem. Mater., 2023, 35, 3046
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Machine learning directed multi-objective optimization of mixed variable chemical systems

Oliver J. Kershaw, Adam D. Clayton, Jamie A. Manson, Alexandre Barthelme, John Pavey, Philip Peach, Jason Mustakis, Roger M. Howard, Thomas W. Chamberlain, Nicholas J. Warren and Richard A. Bourne

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Multiobjective Platform for Autonomous Property Targeting and Optimization of Colloidal Lead Halide Perovskite Quantum Dots

Neal Munyebvu, Steve Dunn and Philip D. Howes

Chem. Mater., 2025
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Self-Driving Laboratories for Chemistry and Materials Science

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