A brief introduction to chemical reaction optimization

CJ Taylor, A Pomberger, KC Felton, R Grainger… - Chemical …, 2023 - ACS Publications
From the start of a synthetic chemist's training, experiments are conducted based on recipes
from textbooks and manuscripts that achieve clean reaction outcomes, allowing the scientist …

Self-driving laboratories for chemistry and materials science

G Tom, SP Schmid, SG Baird, Y Cao, K Darvish… - Chemical …, 2024 - ACS Publications
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

Autonomous chemical experiments: Challenges and perspectives on establishing a self-driving lab

M Seifrid, R Pollice, A Aguilar-Granda… - Accounts of Chemical …, 2022 - ACS Publications
Conspectus We must accelerate the pace at which we make technological advancements to
address climate change and disease risks worldwide. This swifter pace of discovery requires …

Nanoparticle synthesis assisted by machine learning

H Tao, T Wu, M Aldeghi, TC Wu… - Nature reviews …, 2021 - nature.com
Many properties of nanoparticles are governed by their shape, size, polydispersity and
surface chemistry. To apply nanoparticles in chemical sensing, medical diagnostics …

A multi-objective active learning platform and web app for reaction optimization

JAG Torres, SH Lau, P Anchuri… - Journal of the …, 2022 - ACS Publications
We report the development of an open-source experimental design via Bayesian
optimization platform for multi-objective reaction optimization. Using high-throughput …

Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation

Y **e, K Sattari, C Zhang, J Lin - Progress in Materials Science, 2023 - Elsevier
The ever-increasing demand for novel materials with superior properties inspires retrofitting
traditional research paradigms in the era of artificial intelligence and automation. An …

From characterization to discovery: artificial intelligence, machine learning and high-throughput experiments for heterogeneous catalyst design

J Benavides-Hernández, F Dumeignil - ACS Catalysis, 2024 - ACS Publications
This review paper delves into synergistic integration of artificial intelligence (AI) and
machine learning (ML) with high-throughput experimentation (HTE) in the field of …

Data-science driven autonomous process optimization

M Christensen, LPE Yunker, F Adedeji… - Communications …, 2021 - nature.com
Autonomous process optimization involves the human intervention-free exploration of a
range process parameters to improve responses such as product yield and selectivity …

Closed-loop transfer enables artificial intelligence to yield chemical knowledge

NH Angello, DM Friday, C Hwang, S Yi, AH Cheng… - Nature, 2024 - nature.com
Artificial intelligence-guided closed-loop experimentation has emerged as a promising
method for optimization of objective functions,, but the substantial potential of this …

Self‐driving platform for metal nanoparticle synthesis: combining microfluidics and machine learning

H Tao, T Wu, S Kheiri, M Aldeghi… - Advanced Functional …, 2021 - Wiley Online Library
Many applications of inorganic nanoparticles (NPs), including photocatalysis, photovoltaics,
chemical and biochemical sensing, and theranostics, are governed by NP optical properties …