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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 OpenAlex
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

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

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.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.179
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0010.000
Open science0.0010.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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