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.