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.