LABS: Laboratory Automation and Batch Scheduling – A Modular Open Source Python Program for the Control of Automated Electrochemical Synthesis with a Web Interface

Hielscher, Maximilian M.; Dörr, Maurice; Schneider, Jan; Waldvogel, Siegfried R.

doi:10.1002/asia.202300380

Cited by 7 publications

(6 citation statements)

References 59 publications

(51 reference statements)

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“…Notably, recent advancements in the user interface design for MAP have primarily been tailored to receiving a single job within an OS. 13,14,[19][20][21][22][23][24] However, the ability to accommodate multiple job submissions concurrently is paramount in enhancing the e ciency of a MAP. 25 Thus, the interface node, bolstered by a multithread pool, enables numerous clients to seamlessly request remote experiments across multiple applications, akin to a computing server (Fig.…”

Section: Resultsmentioning

confidence: 99%

“…Recent studies advocate for the development of a user-friendly web-based interface accessible to both experimental researchers and computational experts. 14,19,22,24 Moreover, the integration of extended reality, virtual reality and augmented reality could enhance the accessibility and usability of OCTOPUS in the future. [46][47][48] In conclusion, OCTOPUS embodies a multifaceted solution that has been engineered to overcome the challenges inherent in MAP accessed by multiple users, OCTOPUS embodies a multifaceted solution.…”

Section: Discussionmentioning

confidence: 99%

“…However, the development of an OS for multiuser systems has posed challenges to standardized methodologies, primarily stemming from equipment heterogeneity, platform delocalization and safety concerns. [19][20][21][22][23][24][25][26][27] Thus, there is a pressing need for extensive research to develop an advanced OS for MAP accessed by multiple users.…”

Section: Introductionmentioning

confidence: 99%

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OCTOPUS: Operation Control System for Task Optimization and Job Parallelization via a User-Optimal Scheduler

Han,

Yoo,

Lee

et al. 2024

Preprint

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The materials acceleration platform (MAP), empowered by robotics and artificial intelligence, is a transformative approach for expediting material discovery processes across diverse domains. However, the development of an operating system for MAP faces challenges in simultaneously managing diverse experiments from multiple users. Specifically, when MAP is utilized by multiple users, the overlapping challenges of experimental modules or devices can lead to inefficiencies in both resource utilization and safety hazards. To overcome these challenges, we present an operation control system for MAP, namely, OCTOPUS, which is an acronym for operation control system for task optimization and job parallelization via a user-optimal scheduler. OCTOPUS streamlines experiment scheduling and optimizes resource utilization through integrating its interface node, master node and module nodes. Leveraging process modularization and a network protocol, OCTOPUS ensures the homogeneity, scalability, safety and versatility of MAP. In addition, OCTOPUS embodies a user-optimal scheduler. Job parallelization and task optimization techniques mitigate delays and safety hazards within realistic operational environments, while the closed-packing schedule algorithm efficiently executes multiple jobs with minimal resource waste. This work offers a solution to the challenges encountered within MAP accessed by multiple users, and thereby will facilitate its widespread adoption in material development processes.

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Section: Resultsmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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OCTOPUS: Operation Control System for Task Optimization and Job Parallelization via a User-Optimal Scheduler

Han,

Yoo,

Lee

et al. 2024

Preprint

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“…As these customizations are not available within commercial potentiostat soware, this approach relies on using a potentiostat with a programmable interface controlled by a custom-built acquisition soware, based, for instance, on LabView or Python. 53,54…”

Section: Experimentdatabase Communicationmentioning

confidence: 99%

Accelerating materials research with a comprehensive data management tool: a case study on an electrochemical laboratory

Röttcher,

Akkoc,

Finger

et al. 2024

J. Mater. Chem. A

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“…These chemists would also have to consider new upfront costs for software such as LabView and the need to become sufficiently knowledgeable to run and alter programs. 7 Free, open-source software, on the other hand, are more attractive because the user can change the functionality which can then be tested and made available to everyone else. This has led to user-friendly interfaces being made by people with programming knowledge, which can then be used by others with less programming experience, where all they have to do is set up their experimental configuration on the program.…”

mentioning

confidence: 99%

Automation in Electrifying Flow Organic Synthesis

Hardwick,

Ahmed

2024

Preprint

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The automated chemicals flow in organic electrochemistry will accelerate the scale-up process. In traditional flow electrochemistry, the reaction parameters (concentration, current density, flow rate, temperature, pressure) can be precisely adjusted. However, control over these parameters in the automated electrochemical flow system will be innovative. Multi- objective algorithms that link hardware and digital chemical operations on software can establish the autonomous system for flow electro-organic reactions. Electrochemical transformations are controlled by the application of electrical current, so the chemical process in an electrochemical microreactor can be organised and started or stopped via computer- controlled power supply. Such control over chemical transformations is not possible in conventional chemical reactions. Due to advantage of this unique feature of electrochemical process, new methods for acquisition of real-time reaction data are possible with the help of online analysis and self-optimising machine learning algorithms. Herein, we build our opinions and describe the perspective of automation in flow organic electrochemistry.

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LABS: Laboratory Automation and Batch Scheduling – A Modular Open Source Python Program for the Control of Automated Electrochemical Synthesis with a Web Interface

Abstract: Dedicated to Prof. Dr. Dennis Curran on the occasion of his 70 th birthday.

Cited by 7 publications

References 59 publications

OCTOPUS: Operation Control System for Task Optimization and Job Parallelization via a User-Optimal Scheduler

OCTOPUS: Operation Control System for Task Optimization and Job Parallelization via a User-Optimal Scheduler

Accelerating materials research with a comprehensive data management tool: a case study on an electrochemical laboratory

Automation in Electrifying Flow Organic Synthesis

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