Triple

T23291281
Position Surface form Disambiguated ID Type / Status
Subject John Pople E590035 entity
Predicate notableWork P4 FINISHED
Object Gaussian program for electronic structure calculations NE NERFINISHED

How this triple was built (2 steps)

Every LLM step that produced this triple, in pipeline order — named-entity classification, the disambiguation choices (the exact options shown, with the pick highlighted), and the generated description. The batch + timestamp of each is in the Provenance table below.

NER Named-entity recognition gpt-5-mini
Instruction
Given a phrase, classify it is english named entity (e.g., persons, organizations, works of art) in Latin script, or not (e.g., literals, dates, URLs, verbose phrases). For disambiguation, the statement where the phrase occurs as object is also given. Please return a JSON object with `phrase` (string, the phrase being analyzed) and `is_ne` (boolean, indicating whether the phrase is a Named Entity).
Input
Phrase: Gaussian program for electronic structure calculations | Statement: [John Pople, notableWork, Gaussian program for electronic structure calculations]
NED1 Entity disambiguation (via context triple) gpt-5-mini-2025-08-07
Target entity: Gaussian program for electronic structure calculations
Context triple: [John Pople, notableWork, Gaussian program for electronic structure calculations]
  • A. Gaussian computational chemistry program chosen
    Gaussian is a widely used computational chemistry software package, originally developed under the leadership of John Pople, for performing quantum chemical calculations on molecules and reactions.
  • B. Electronic Structures of Molecules
    Electronic Structures of Molecules is a foundational scientific work by Robert S. Mulliken that systematically develops molecular orbital theory and its application to understanding the electronic properties and bonding of molecules.
  • C. Extended Hückel method
    The Extended Hückel method is a semi-empirical quantum chemistry approach developed by Roald Hoffmann to approximate molecular electronic structure and bonding using simplified orbital interactions.
  • D. NWChem
    NWChem is an open-source, high-performance computational chemistry software package designed for large-scale molecular simulations and electronic structure calculations on parallel computing architectures.
  • E. Quantum ESPRESSO
    Quantum ESPRESSO is an open-source suite of computer codes for electronic-structure calculations and materials modeling based on plane-wave pseudopotential methods.
  • F. None of above.
  • G. Unsure - the case is ambiguous/there is not enough information to decide.

Provenance (2 batches)

The batch behind each pipeline step, in order, with when it ran. Timestamps are batch-level — stages were processed in waves, so the object chain (NER → NED1 → NEDg → NED2) reads in order, but predicate / elicitation batches can sit in a different wave.

Step Stage Batch ID Status When
creating Elicitation batch_69e25d1af9d88190a0b9b5e8fa608618 completed April 17, 2026, 4:17 p.m.
NER Named-entity recognition batch_69f196cb3fec8190a95255da97dd984e completed April 29, 2026, 5:27 a.m.
Created at: April 17, 2026, 5:02 p.m.