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Record W4391691048 · doi:10.26434/chemrxiv-2024-cwnwc

An affordable platform for automated synthesis and electrochemical characterization

2024· preprint· en· W4391691048 on OpenAlexafffund
Sergio Pablo‐García, A. Garcı́a, Gun Deniz Akkoc, Malcolm Sim, Yang Cao, Maxine Somers, Chance Hattrick, Naruki Yoshikawa, Dominik Dworschak, Han Hao, Alán Aspuru‐Guzik

Bibliographic record

VenueChemRxiv · 2024
Typepreprint
Languageen
FieldMaterials Science
TopicMachine Learning in Materials Science
Canadian institutionsCanadian Institute for Advanced ResearchUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of CanadaBundesministerium für Bildung und ForschungMitacsCanadian Institute for Advanced ResearchUniversity of MinnesotaU.S. Department of Energy
KeywordsCharacterization (materials science)ElectrochemistryComputer scienceChemistryNanotechnologyMaterials scienceElectrodePhysical chemistry

Abstract

fetched live from OpenAlex

Electrochemical techniques are pivotal for material discovery and renewable energy; however, often the extensive chemical spaces to be explored require high-throughput experimentation (HTE) to ensure timely results, which are costly both for instrument and materials/consumables. While self-driving laboratories (SDL) promise efficient chemical exploration, most contemporary implementations demand significant time, economic investment, and expertise. This study introduces an open and cost-effective autonomous electrochemical setup, comprising a synthesis platform and a custom-designed potentiostat device. We present an SDL platform that offers rapid deployment and extensive control over electrochemical experiments compared to commercial alternatives. Using ChemOS 2.0 for orchestration, we showcase our setup's capabilities through a campaign in which different metal ions reacts with ligands to form coordination compounds., yielding a database of 400 electrochemical measurements. Committed to open science, we provide a potentiostat design, campaign software, and raw data, aiming to democratize customized components in SDLs and ensure transparent data sharing and reproducibility.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.003
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.015
Threshold uncertainty score0.050

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.003
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0020.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0020.002
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0150.010

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.013
GPT teacher head0.276
Teacher spread0.263 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreMethods

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations8
Published2024
Admission routes2
Has abstractyes

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