Triple
T65226
| Position | Surface form | Disambiguated ID | Type / Status |
|---|---|---|---|
| Subject | Born–Oppenheimer approximation |
E1297
|
entity |
| Predicate | usedIn |
P98
|
FINISHED |
| Object |
Born–Oppenheimer molecular dynamics
Born–Oppenheimer molecular dynamics is a simulation method in computational chemistry and physics where atomic nuclei move classically on potential energy surfaces computed quantum-mechanically at each step.
|
E1297
|
NE FINISHED |
How this triple was built (4 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: Born–Oppenheimer molecular dynamics | Statement: [Born–Oppenheimer approximation, usedIn, Born–Oppenheimer molecular dynamics]
NED1
Entity disambiguation (via context triple)
gpt-5-mini-2025-08-07
Target entity: Born–Oppenheimer molecular dynamics Context triple: [Born–Oppenheimer approximation, usedIn, Born–Oppenheimer molecular dynamics]
-
A.
Born–Oppenheimer approximation
The Born–Oppenheimer approximation is a fundamental method in molecular quantum mechanics that simplifies calculations by treating nuclear motion as much slower than electronic motion, allowing their behaviors to be separated.
-
B.
The Nature of the Chemical Bond
The Nature of the Chemical Bond is a landmark chemistry book by Linus Pauling that systematically explains chemical bonding using quantum mechanics and became one of the most influential scientific texts of the 20th century.
-
C.
Feynman–Hellmann theorem
The Feynman–Hellmann theorem is a result in quantum mechanics that relates the derivative of an energy eigenvalue with respect to a parameter in the Hamiltonian to the expectation value of the corresponding derivative of the Hamiltonian.
-
D.
Feynman–Kac formula
The Feynman–Kac formula is a fundamental result connecting solutions of certain partial differential equations with expectations over stochastic processes, forming a bridge between quantum mechanics, probability theory, and mathematical finance.
-
E.
On the Motion of Small Particles Suspended in Liquids at Rest Required by the Molecular-Kinetic Theory of Heat
"On the Motion of Small Particles Suspended in Liquids at Rest Required by the Molecular-Kinetic Theory of Heat" is Albert Einstein’s 1905 paper that provided a theoretical explanation of Brownian motion, offering strong evidence for the existence of atoms and molecules.
- F. None of above. chosen
- G. Unsure - the case is ambiguous/there is not enough information to decide.
NEDg
Description generation
gpt-5.1
Instruction
Generate a one-sentence description of the target entity. You are given a context triple in the form (subject, predicate, object), where the object is the target entity. # Instructions Use the triple to infer relevant information about the entity. Describe the entity based on what is most defining, well-known. Avoid repeating the information from the triple, unless really essential. # Response Format Return only the sentence: "Description: [one-sentence description of the target entity]"
Input
Entity: Born–Oppenheimer molecular dynamics Triple: [Born–Oppenheimer approximation, usedIn, Born–Oppenheimer molecular dynamics]
Generated description
Born–Oppenheimer molecular dynamics is a simulation method in computational chemistry and physics where atomic nuclei move classically on potential energy surfaces computed quantum-mechanically at each step.
NED2
Entity disambiguation (via description)
gpt-5-mini-2025-08-07
Target entity: Born–Oppenheimer molecular dynamics Target entity description: Born–Oppenheimer molecular dynamics is a simulation method in computational chemistry and physics where atomic nuclei move classically on potential energy surfaces computed quantum-mechanically at each step.
-
A.
Born–Oppenheimer approximation
chosen
The Born–Oppenheimer approximation is a fundamental method in molecular quantum mechanics that simplifies calculations by treating nuclear motion as much slower than electronic motion, allowing their behaviors to be separated.
-
B.
The Nature of the Chemical Bond
The Nature of the Chemical Bond is a landmark chemistry book by Linus Pauling that systematically explains chemical bonding using quantum mechanics and became one of the most influential scientific texts of the 20th century.
-
C.
Feynman–Hellmann theorem
The Feynman–Hellmann theorem is a result in quantum mechanics that relates the derivative of an energy eigenvalue with respect to a parameter in the Hamiltonian to the expectation value of the corresponding derivative of the Hamiltonian.
-
D.
Feynman–Kac formula
The Feynman–Kac formula is a fundamental result connecting solutions of certain partial differential equations with expectations over stochastic processes, forming a bridge between quantum mechanics, probability theory, and mathematical finance.
-
E.
On the Motion of Small Particles Suspended in Liquids at Rest Required by the Molecular-Kinetic Theory of Heat
"On the Motion of Small Particles Suspended in Liquids at Rest Required by the Molecular-Kinetic Theory of Heat" is Albert Einstein’s 1905 paper that provided a theoretical explanation of Brownian motion, offering strong evidence for the existence of atoms and molecules.
- F. None of above.
Provenance (5 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_69a24ba4f760819081f6638a3c70538a |
completed | Feb. 28, 2026, 1:57 a.m. |
| NER | Named-entity recognition | batch_69a24ee6ba348190b00977285d74d8f5 |
completed | Feb. 28, 2026, 2:11 a.m. |
| NED1 | Entity disambiguation (via context triple) | batch_69a2554da8848190a445b503d98769aa |
completed | Feb. 28, 2026, 2:39 a.m. |
| NEDg | Description generation | batch_69a255b409a081908871ed7fee07be29 |
completed | Feb. 28, 2026, 2:40 a.m. |
| NED2 | Entity disambiguation (via description) | batch_69a256e8f7ec81909450c07bf7bafa0a |
completed | Feb. 28, 2026, 2:46 a.m. |
Created at: Feb. 28, 2026, 2:02 a.m.