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Record W2227496777 · doi:10.1016/j.cpc.2016.03.014

TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials

2016· article· en· W2227496777 on OpenAlexfundno aff
Markus Aichhorn, Leonid V. Pourovskii, Priyanka Seth, V. Vildosola, Manuel Zingl, Oleg E. Peil, Xiaoyu Deng, Jernej Mravlje, Gernot J. Kraberger, Cyril Martins, Michel Ferrero, Olivier Parcollet

Bibliographic record

VenueComputer Physics Communications · 2016
Typearticle
Languageen
FieldPhysics and Astronomy
TopicPhysics of Superconductivity and Magnetism
Canadian institutionsnot available
FundersJavna Agencija za Raziskovalno Dejavnost RSMinistry of Education and Science of the Russian FederationQueen's UniversityAustrian Science FundSchweizerischer Nationalfonds zur Förderung der Wissenschaftlichen ForschungNational Science Foundation
KeywordsWIEN2kWannier functionComputer scienceAb initioDensity functional theoryToolboxInterface (matter)Computational scienceConsistency (knowledge bases)Code (set theory)Set (abstract data type)Statistical physicsPhysicsQuantum mechanicsParallel computingProgramming languageLocal-density approximation

Abstract

fetched live from OpenAlex
No abstract in any covered source. Its absence is recorded, not treated as a negative.

No abstract. This is not a gap in this database; OpenAlex has none either. 23.3% of the frame is in this state, and the screen finds HALF as much metaresearch here, so the absence is a measured bias rather than a missing field.

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: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Software · Consensus signal: none
Teacher disagreement score0.068
Threshold uncertainty score0.226

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.003
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0010.002
Science and technology studies0.0010.000
Scholarly communication0.0020.002
Open science0.0050.002
Research integrity0.0020.003
Insufficient payload (model declined to judge)0.0680.013

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 head0.040
GPT teacher head0.283
Teacher spread0.243 · 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 designSimulation or modeling
Domainnot available
GenreSoftware

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

Citations202
Published2016
Admission routes1
Has abstractno

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