Orchestrating nimble experiments across interconnected labs

Guevarra, Dan; Kan, Kevin; Lai, Yungchieh; Jones, Ryan J. R.; Zhou, Lan; Donnelly, Phillip; Richter, Matthias; Stein, Helge S.; Gregoire, John M.

doi:10.1039/D3DD00166K

Title: Orchestrating nimble experiments across interconnected labs

Journal Article · 03 December 2023 · Digital Discovery

DOI: https://doi.org/10.1039/D3DD00166K · OSTI ID:2008131

^[1]; Kan, Kevin ^[1]; Lai, Yungchieh ^[1];

^[1]; Zhou, Lan ^[1]; Donnelly, Phillip ^[2];

^[1]; Stein, Helge S. ^[3];

^[1]

Division of Engineering and Applied Science, California Institute of Technology, Pasadena, CA 91125, USA, Liquid Sunlight Alliance, California Institute of Technology, Pasadena, CA, USA
Division of Engineering and Applied Science, California Institute of Technology, Pasadena, CA 91125, USA
TUM School of Natural Sciences, Department of Chemistry, Munich Data Science Institute, Technical University of Munich, Munich, Germany

Human researchers multi-task, collaborate, and share resources. HELAO-async is a multi-workflow automation software that helps realize these attributes in materials acceleration platforms.

View Journal Article

Cite

Export

Save

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0021266

OSTI ID:: 2008131

Journal Information:: Digital Discovery, Journal Name: Digital Discovery Journal Issue: 6 Vol. 2; ISSN DDIIAI; ISSN 2635-098X

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

References (35)

Hypothesis Learning in Automated Experiment: Application to Combinatorial Materials Libraries Ziatdinov, Maxim A.; Liu, Yongtao; Morozovska, Anna N. Advanced Materials, Vol. 34, Issue 20 https://doi.org/10.1002/adma.202201345	journal	April 2022
Enabling Modular Autonomous Feedback‐Loops in Materials Science through Hierarchical Experimental Laboratory Automation and Orchestration Rahmanian, Fuzhan; Flowers, Jackson; Guevarra, Dan Advanced Materials Interfaces, Vol. 9, Issue 8 https://doi.org/10.1002/admi.202101987	journal	January 2022
High-Performance Web Apps with FastAPI Lathkar, Malhar https://doi.org/10.1007/978-1-4842-9178-8	book	January 2023
From materials discovery to system optimization by integrating combinatorial electrochemistry and data science Stein, Helge S.; Sanin, Alexey; Rahmanian, Fuzhan Current Opinion in Electrochemistry, Vol. 35 https://doi.org/10.1016/j.coelec.2022.101053	journal	October 2022
Materials Acceleration Platforms: On the way to autonomous experimentation Flores-Leonar, Martha M.; Mejía-Mendoza, Luis M.; Aguilar-Granda, Andrés Current Opinion in Green and Sustainable Chemistry, Vol. 25 https://doi.org/10.1016/j.cogsc.2020.100370	journal	October 2020
Autonomous experimentation systems for materials development: A community perspective Stach, Eric; DeCost, Brian; Kusne, A. Gilad Matter, Vol. 4, Issue 9 https://doi.org/10.1016/j.matt.2021.06.036	journal	September 2021
An object-oriented framework to enable workflow evolution across materials acceleration platforms Leong, Chang Jie; Low, Kai Yuan Andre; Recatala-Gomez, Jose Matter, Vol. 5, Issue 10 https://doi.org/10.1016/j.matt.2022.08.017	journal	October 2022
Scalable multi-agent lab framework for lab optimization Kusne, A. Gilad; McDannald, Austin Matter, Vol. 6, Issue 6 https://doi.org/10.1016/j.matt.2023.03.022	journal	June 2023
Looking backward, moving forward: Four invited works celebrating four years of Matter Cranford, Steve Matter, Vol. 6, Issue 7 https://doi.org/10.1016/j.matt.2023.06.005	journal	July 2023
Linking scientific instruments and computation: Patterns, technologies, and experiences Vescovi, Rafael; Chard, Ryan; Saint, Nickolaus D. Patterns, Vol. 3, Issue 10 https://doi.org/10.1016/j.patter.2022.100606	journal	October 2022
The SiLA 2 Manager for rapid device integration and workflow automation Bromig, Lukas; Leiter, David; Mardale, Alexandru-Virgil SoftwareX, Vol. 17 https://doi.org/10.1016/j.softx.2022.100991	journal	January 2022
Autonomous Chemical Experiments: Challenges and Perspectives on Establishing a Self-Driving Lab Seifrid, Martin; Pollice, Robert; Aguilar-Granda, Andrés Accounts of Chemical Research, Vol. 55, Issue 17 https://doi.org/10.1021/acs.accounts.2c00220	journal	August 2022
Rutile Alloys in the Mn–Sb–O System Stabilize Mn ³⁺ To Enable Oxygen Evolution in Strong Acid Zhou, Lan; Shinde, Aniketa; Montoya, Joseph H. ACS Catalysis, Vol. 8, Issue 12 https://doi.org/10.1021/acscatal.8b02689	journal	October 2018
From Platform to Knowledge Graph: Evolution of Laboratory Automation Bai, Jiaru; Cao, Liwei; Mosbach, Sebastian JACS Au, Vol. 2, Issue 2 https://doi.org/10.1021/jacsau.1c00438	journal	January 2022
Autonomy in materials research: a case study in carbon nanotube growth Nikolaev, Pavel; Hooper, Daylond; Webber, Frederick npj Computational Materials, Vol. 2, Issue 1 https://doi.org/10.1038/npjcompumats.2016.31	journal	October 2016
Autonomous discovery of optically active chiral inorganic perovskite nanocrystals through an intelligent cloud lab Li, Jiagen; Li, Junzi; Liu, Rulin Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-15728-5	journal	April 2020
Physics-informed machine learning Karniadakis, George Em; Kevrekidis, Ioannis G.; Lu, Lu Nature Reviews Physics, Vol. 3, Issue 6 https://doi.org/10.1038/s42254-021-00314-5	journal	May 2021
Room for improvement Nature Machine Intelligence, Vol. 3, Issue 1, p. 1-1 https://doi.org/10.1038/s42256-021-00294-2	journal	January 2021
Combinatorial synthesis for AI-driven materials discovery Gregoire, John M.; Zhou, Lan; Haber, Joel A. Nature Synthesis, Vol. 2, Issue 6 https://doi.org/10.1038/s44160-023-00251-4	journal	March 2023
Functional mapping reveals mechanistic clusters for OER catalysis across (Cu–Mn–Ta–Co–Sn–Fe)O _x composition and pH space Stein, Helge S.; Guevarra, Dan; Shinde, Aniketa Materials Horizons, Vol. 6, Issue 6 https://doi.org/10.1039/C8MH01641K	journal	January 2019
Progress and prospects for accelerating materials science with automated and autonomous workflows Stein, Helge S.; Gregoire, John M. Chemical Science, Vol. 10, Issue 42 https://doi.org/10.1039/C9SC03766G	journal	January 2019
Machine learning enabling high-throughput and remote operations at large-scale user facilities Konstantinova, Tatiana; Maffettone, Phillip M.; Ravel, Bruce Digital Discovery, Vol. 1, Issue 4 https://doi.org/10.1039/D2DD00014H	journal	January 2022
Scanning droplet cell for high throughput electrochemical and photoelectrochemical measurements Gregoire, John M.; Xiang, Chengxiang; Liu, Xiaonao Review of Scientific Instruments, Vol. 84, Issue 2 https://doi.org/10.1063/1.4790419	journal	February 2013
High-throughput on-the-fly scanning ultraviolet-visible dual-sphere spectrometer Mitrovic, Slobodan; Cornell, Earl W.; Marcin, Martin R. Review of Scientific Instruments, Vol. 86, Issue 1 https://doi.org/10.1063/1.4905365	journal	January 2015
Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies Green, M. L.; Choi, C. L.; Hattrick-Simpers, J. R. Applied Physics Reviews, Vol. 4, Issue 1 https://doi.org/10.1063/1.4977487	journal	March 2017
Reactor design and integration with product detection to accelerate screening of electrocatalysts for carbon dioxide reduction Jones, Ryan J. R.; Wang, Yu; Lai, Yungchieh Review of Scientific Instruments, Vol. 89, Issue 12 https://doi.org/10.1063/1.5049704	journal	December 2018
Toward autonomous materials research: Recent progress and future challenges Montoya, Joseph H.; Aykol, Muratahan; Anapolsky, Abraham Applied Physics Reviews, Vol. 9, Issue 1 https://doi.org/10.1063/5.0076324	journal	March 2022
Bluesky's Ahead: A Multi-Facility Collaboration for an a la Carte Software Project for Data Acquisition and Management Allan, Daniel; Caswell, Thomas; Campbell, Stuart Synchrotron Radiation News, Vol. 32, Issue 3 https://doi.org/10.1080/08940886.2019.1608121	journal	May 2019
Autonomous materials synthesis via hierarchical active learning of nonequilibrium phase diagrams Ament, Sebastian; Amsler, Maximilian; Sutherland, Duncan R. Science Advances, Vol. 7, Issue 51 https://doi.org/10.1126/sciadv.abg4930	journal	December 2021
ChemOS: Orchestrating autonomous experimentation Roch, Loïc M.; Häse, Florian; Kreisbeck, Christoph Science Robotics, Vol. 3, Issue 19 https://doi.org/10.1126/scirobotics.aat5559	journal	June 2018
Experiment Specification, Capture and Laboratory Automation Technology (ESCALATE): a software pipeline for automated chemical experimentation and data management Pendleton, Ian M.; Cattabriga, Gary; Li, Zhi MRS Communications, Vol. 9, Issue 3 https://doi.org/10.1557/mrc.2019.72	journal	June 2019
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
CRESt – Copilot for Real-world Experimental Scientist Ren, Zhichu; Zhang, Zhen; Tian, Yunsheng https://doi.org/10.26434/chemrxiv-2023-tnz1x	preprint	July 2023
ChemOS 2.0: an orchestration architecture for chemical self-driving laboratories Sim, Malcolm; Ghazi Vakili, Mohammad; Strieth-Kalthoff, Felix ChemRxiv https://doi.org/10.26434/chemrxiv-2023-v2khf	preprint	August 2023
Towards a Modular Architecture for Science Factories Vescovi, Rafael; Ginsburg, Tobias; Hippe, Kyle arXiv https://doi.org/10.48550/arXiv.2308.09793	preprint	January 2023

Similar Records

Enabling Modular Autonomous Feedback‐Loops in Materials Science through Hierarchical Experimental Laboratory Automation and Orchestration

Journal Article · 2022 · Advanced Materials Interfaces · OSTI ID:1838550

Rahmanian, Fuzhan; Flowers, Jackson; Guevarra, Dan; +5 more

Cross-Facility Orchestration of Electrochemistry Experiments and Computations

Conference · 2023 · OSTI ID:2229221

Al Najjar, Anees; Rao, Nageswara; Bridges, Craig A.; +1 more

Not just for programmers: How GitHub can accelerate collaborative and reproducible research in ecology and evolution

Journal Article · 2023 · Methods in Ecology and Evolution (Online) · OSTI ID:1971145

Braga, Pedro Henrique Pereira; Hébert, Katherine; Hudgins, Emma J.; +14 more

Title: Orchestrating nimble experiments across interconnected labs

Citation Formats

References (35)

Similar Records

Related Subjects