Review of low-cost self-driving laboratories in chemistry and materials science: the “frugal twin” concept

Lo, Stanley; Baird, Sterling G.; Schrier, Joshua; Blaiszik, Ben; Carson, Nessa; Foster, Ian; Aguilar-Granda, Andrés; Kalinin, Sergei V.; Maruyama, Benji; Politi, Maria; Tran, Helen; Sparks, Taylor D.; Aspuru-Guzik, Alán

doi:10.1039/d3dd00223c

Title: Review of low-cost self-driving laboratories in chemistry and materials science: the “frugal twin” concept

Journal Article · Thu Feb 15 00:00:00 UTC 2024 · Digital Discovery

DOI: https://doi.org/10.1039/d3dd00223c · OSTI ID:2333052

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Univ. of Toronto, ON (Canada)
Univ. of Toronto, ON (Canada); Univ. of Utah, Salt Lake City, UT (United States)
Fordham Univ., The Bronx, NY (United States)
Univ. of Chicago, IL (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)
AstraZeneca (United Kingdom)
Univ. Nacional Autonoma de Mexico (UNAM), Mexico City (Mexico)
Univ. of Tennessee, Knoxville, TN (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Air Force Research Lab. (AFRL), Wright-Patterson AFB, OH (United States)
Univ. of Washington, Seattle, WA (United States)
Univ. of Utah, Salt Lake City, UT (United States); Univ. of Liverpool (United Kingdom)

This review proposes the concept of a “frugal twin,” similar to a digital twin, but for physical experiments. Frugal twins range from simple toy examples to low-cost surrogates of high-cost research systems. For example, a color-mixing self-driving laboratory (SDL) can serve as a low-cost version of a costly multi-step chemical discovery SDL. Frugal twins already provide hands-on experience for SDLs with low costs and low risks. They can also offer as test beds for software prototyping (e.g., optimization, data infrastructure), and a low barrier to entry for democratizing SDLs. However, there is room for improvement. The true value of frugal twins can be realized in three core areas. Firstly, hardware and software modularity; secondly, purpose-built design (human-inspired vs. hardware-centric vs. human-in-the-loop); and thirdly state-of-the-art (SOTA) software (e.g., multi-fidelity optimization). We also describe the ethical benefits and risks that come with the democratization of science through frugal twins. For future work, we suggest ideas for new frugal twins, SDL educational course outcomes, and a classification scheme for autonomy levels.

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Research Organization:: Univ. of Washington, Seattle, WA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019288

OSTI ID:: 2333052

Journal Information:: Digital Discovery, Journal Name: Digital Discovery Journal Issue: 5 Vol. 3; ISSN 2635-098X

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Synthesis of many different types of organic small molecules using one automated process Li, J.; Ballmer, S. G.; Gillis, E. P. Science, Vol. 347, Issue 6227 https://doi.org/10.1126/science.aaa5414	journal	March 2015
Digitization of multistep organic synthesis in reactionware for on-demand pharmaceuticals Kitson, Philip J.; Marie, Guillaume; Francoia, Jean-Patrick Science, Vol. 359, Issue 6373 https://doi.org/10.1126/science.aao3466	journal	January 2018
Reconfigurable system for automated optimization of diverse chemical reactions Bédard, Anne-Catherine; Adamo, Andrea; Aroh, Kosi C. Science, Vol. 361, Issue 6408 https://doi.org/10.1126/science.aat0650	journal	September 2018
Organic synthesis in a modular robotic system driven by a chemical programming language Steiner, Sebastian; Wolf, Jakob; Glatzel, Stefan Science, Vol. 363, Issue 6423 https://doi.org/10.1126/science.aav2211	journal	November 2018
Scientific Inquiry in Middle Schools by combining Computational Thinking, Wet Lab Experiments, and Liquid Handling Robots Fuhrmann, Tamar; Ahmed, Deeana Ijaz; Arikson, Len Interaction Design and Children https://doi.org/10.1145/3459990.3465180	conference	June 2021
Liquid-handling Lego robots and experiments for STEM education and research Gerber, Lukas C.; Calasanz-Kaiser, Agnes; Hyman, Luke PLOS Biology, Vol. 15, Issue 3 https://doi.org/10.1371/journal.pbio.2001413	journal	March 2017
Biosecurity in an age of open science Smith, James Andrew; Sandbrink, Jonas B. PLOS Biology, Vol. 20, Issue 4 https://doi.org/10.1371/journal.pbio.3001600	journal	April 2022
Support academic access to automated cloud labs to improve reproducibility Armer, Chase; Letronne, Florent; DeBenedictis, Erika PLOS Biology, Vol. 21, Issue 1 https://doi.org/10.1371/journal.pbio.3001919	journal	January 2023
ChemOS: An orchestration software to democratize autonomous discovery Roch, Loïc M.; Häse, Florian; Kreisbeck, Christoph PLOS ONE, Vol. 15, Issue 4 https://doi.org/10.1371/journal.pone.0229862	journal	April 2020
Levels of autonomy in synthetic biology engineering Beal, Jacob; Rogers, Miles Molecular Systems Biology, Vol. 16, Issue 12 https://doi.org/10.15252/msb.202010019	journal	December 2020
Toward autonomous additive manufacturing: Bayesian optimization on a 3D printer Deneault, James R.; Chang, Jorge; Myung, Jay MRS Bulletin, Vol. 46, Issue 7 https://doi.org/10.1557/s43577-021-00051-1	journal	April 2021
The LEGOLAS Kit: A low-cost robot science kit for education with symbolic regression for hypothesis discovery and validation Saar, Logan; Liang, Haotong; Wang, Alex MRS Bulletin, Vol. 47, Issue 9 https://doi.org/10.1557/s43577-022-00430-2	journal	September 2022
Artificial intelligence for materials research at extremes Maruyama, B.; Hattrick-Simpers, J.; Musinski, W. MRS Bulletin, Vol. 47, Issue 11 https://doi.org/10.1557/s43577-022-00466-4	journal	November 2022
Next-generation intelligent laboratories for materials design and manufacturing Peng, Xiting; Wang, Xiaonan MRS Bulletin, Vol. 48, Issue 2 https://doi.org/10.1557/s43577-023-00481-z	journal	February 2023
Role of AI in experimental materials science Abolhasani, Milad; Brown, Keith A. MRS Bulletin, Vol. 48, Issue 2 https://doi.org/10.1557/s43577-023-00482-y	journal	February 2023
EvoBot: An Open-Source, Modular, Liquid Handling Robot for Scientific Experiments Faiña, Andres; Nejati, Brian; Stoy, Kasper Applied Sciences, Vol. 10, Issue 3 https://doi.org/10.3390/app10030814	journal	January 2020
Self-Driving Laboratories for Development of New Functional Materials and Optimizing Known Reactions Soldatov, Mikhail A.; Butova, Vera V.; Pashkov, Danil Nanomaterials, Vol. 11, Issue 3 https://doi.org/10.3390/nano11030619	journal	March 2021
The digital code driven autonomous synthesis of ibuprofen automated in a 3D-printer-based robot Kitson, Philip J.; Glatzel, Stefan; Cronin, Leroy Beilstein Journal of Organic Chemistry, Vol. 12 https://doi.org/10.3762/bjoc.12.276	journal	December 2016
A recursive microfluidic platform to explore the emergence of chemical evolution Doran, David; Rodriguez-Garcia, Marc; Turk-MacLeod, Rebecca Beilstein Journal of Organic Chemistry, Vol. 13 https://doi.org/10.3762/bjoc.13.164	journal	August 2017
PhasIR: An Instrumentation and Analysis Software for High-throughput Phase Transition Temperature Measurements Rodriguez, Jaime; Politi, Maria; Scheiwiller, Sage Journal of Open Hardware, Vol. 5, Issue 1 https://doi.org/10.5334/joh.39	journal	December 2021
Robotic search for optimal cell culture in regenerative medicine Kanda, Genki N.; Tsuzuki, Taku; Terada, Motoki eLife, Vol. 11 https://doi.org/10.7554/eLife.77007	journal	June 2022

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