Evidence map›Paper›PMID 36918561›Full record

ArticleNature communications2023

AlphaFlow: autonomous discovery and optimization of multi-step chemistry using a self-driven fluidic lab guided by reinforcement learning.

Amanda A Volk, Robert W Epps, Daniel T Yonemoto, Benjamin S Masters, Felix N Castellano, Kristofer G Reyes, Milad Abolhasani

Full text read
In one paragraph

Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 48 papers.

0numbers the graph read from it
0cells of the map it votes in
48citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

48 citing papers in PubMed.

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  11. Sustainable Materials Design With Multi-Modal Artificial Intelligence.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Review
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  14. PredictingACS omega · 2026
    Article
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  20. Recent Advances in Reactive Microdroplets for Clean Water and Energy.Advanced materials (Deerfield Beach, Fla.) · 2025
    Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Amanda A VolkDepartment of Chemical and Biomolecular Engineering, North Carolina State University, 911 Partners Way, Raleigh, NC, 27695-7905, USA.
Robert W EppsDepartment of Chemical and Biomolecular Engineering, North Carolina State University, 911 Partners Way, Raleigh, NC, 27695-7905, USA.
Daniel T YonemotoDepartment of Chemistry, North Carolina State University, Raleigh, NC, 27695-8204, USA.
Benjamin S MastersDepartment of Chemistry, North Carolina State University, Raleigh, NC, 27695-8204, USA.
Felix N CastellanoDepartment of Chemistry, North Carolina State University, Raleigh, NC, 27695-8204, USA.ORCID http://orcid.org/0000-0001-7546-8618
Kristofer G ReyesDepartment of Materials Design and Innovation, University at Buffalo, Buffalo, NY, 14260, USA.
Milad AbolhasaniDepartment of Chemical and Biomolecular Engineering, North Carolina State University, 911 Partners Way, Raleigh, NC, 27695-7905, USA. abolhasani@ncsu.edu.ORCID http://orcid.org/0000-0002-8863-3085

Funding

Camille and Henry Dreyfus Foundation (Camille and Henry Dreyfus Foundation, Inc.) ML-21-064NSF | ENG/OAD | Division of Chemical, Bioengineering, Environmental, and Transport Systems (CBET) 1940959NSF | ENG/OAD | Division of Civil, Mechanical and Manufacturing Innovation (CMMI) 1902708
6 · The paper itself

Abstract

Closed-loop, autonomous experimentation enables accelerated and material-efficient exploration of large reaction spaces without the need for user intervention. However, autonomous exploration of advanced materials with complex, multi-step processes and data sparse environments remains a challenge. In this work, we present AlphaFlow, a self-driven fluidic lab capable of autonomous discovery of complex multi-step chemistries. AlphaFlow uses reinforcement learning integrated with a modular microdroplet reactor capable of performing reaction steps with variable sequence, phase separation, washing, and continuous in-situ spectral monitoring. To demonstrate the power of reinforcement learning toward high dimensionality multi-step chemistries, we use AlphaFlow to discover and optimize synthetic routes for shell-growth of core-shell semiconductor nanoparticles, inspired by colloidal atomic layer deposition (cALD). Without prior knowledge of conventional cALD parameters, AlphaFlow successfully identified and optimized a novel multi-step reaction route, with up to 40 parameters, that outperformed conventional sequences. Through this work, we demonstrate the capabilities of closed-loop, reinforcement learning-guided systems in exploring and solving challenges in multi-step nanoparticle syntheses, while relying solely on in-house generated data from a miniaturized microfluidic platform. Further application of AlphaFlow in multi-step chemistries beyond cALD can lead to accelerated fundamental knowledge generation as well as synthetic route discoveries and optimization.

Identifiers

PMID36918561
PMCPMC10015005

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.