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Record W2995393261 · doi:10.1039/c9cp06161d

Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder

2019· article· en· W2995393261 on OpenAlexfundno aff
Timothy T. Duignan, Gregory K. Schenter, John L. Fulton, Thomas Huthwelker, Mahalingam Balasubramanian, Marcel D. Baer, Jan Wilhelm, Jürg Hutter, Mauro Del Ben, Xin Zhao, Christopher J. Mundy

Bibliographic record

VenuePhysical Chemistry Chemical Physics · 2019
Typearticle
Languageen
FieldPhysics and Astronomy
TopicSpectroscopy and Quantum Chemical Studies
Canadian institutionsnot available
FundersLawrence Berkeley National LaboratoryAustralian Research CouncilOffice of ScienceCanadian Light SourceBasic Energy SciencesQueensland Cyber Infrastructure FoundationPaul Scherrer InstitutPacific Northwest National LaboratoryNational Energy Research Scientific Computing CenterBattelleSchweizerischer Nationalfonds zur Förderung der Wissenschaftlichen ForschungArgonne National LaboratoryU.S. Department of EnergyNational Science Foundation
KeywordsPotassiumSodiumIonChemistryInorganic chemistryCrystallographyOrganic chemistry

Abstract

fetched live from OpenAlex

, but slow convergence prevents rigorous comparison. Finally, we analyse cluster energetics to show SCAN and RPA have smaller fluctuations of the mean error of ion-water cluster binding energies compared with revPBE-D3.

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 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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.016
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.015
GPT teacher head0.260
Teacher spread0.245 · 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 teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

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

Citations66
Published2019
Admission routes1
Has abstractyes

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