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Record W2497062657 · doi:10.1017/cbo9781139003582.006

Quantum mechanics of materials

2011· book-chapter· en· W2497062657 on OpenAlexaff
Ellad B. Tadmor, Ronald E. Miller

Bibliographic record

VenueCambridge University Press eBooks · 2011
Typebook-chapter
Languageen
FieldChemistry
TopicAdvanced Physical and Chemical Molecular Interactions
Canadian institutionsCarleton University
Fundersnot available
KeywordsTheoretical physicsReputationClassical mechanicsStatistical physicsComputer sciencePhysicsEpistemologyPhilosophySociologySocial science

Abstract

fetched live from OpenAlex

Introduction In the preface to his book on the subject, Peierls says of the quantum theory of solids [Pei64] [It] has sometimes the reputation of being rather less respectable than other branches of modern theoretical physics. The reason for this view is that the dynamics of many-body systems, with which it is concerned, cannot be handled without the use of simplifications, or without approximations which often omit essential features of the problem. This book, in essence, is all about ways to further approximate the quantum theory of solids; it is about ways to build approximate models that describe the collective behavior of quantum mechanical atoms in materials. Whether it is the development of density functional theory (DFT), empirical classical interatomic potentials, continuum constitutive laws or multiscale methods, one can only conclude that, by Peierls' measure, modeling materials is a science that is a great deal less respectable than even the quantum theory of solids itself. However, Peierls goes on to say that Nevertheless, the [quantum] theory [of solids] contains a good deal of work of intrinsic interest in which one can either develop a solution convincingly from first principles, or at least give a clear picture of the features which have been omitted and therefore discuss qualitatively the changes which they are likely to cause. It is our view that these redeeming qualities are equally applicable to the modern science of modeling materials.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

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)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.014
Threshold uncertainty score0.048

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.001
Science and technology studies0.0010.004
Scholarly communication0.0020.003
Open science0.0010.001
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0140.003

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 head0.021
GPT teacher head0.201
Teacher spread0.181 · 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 designTheoretical or conceptual
Domainnot available
GenreEmpirical

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

Citations1
Published2011
Admission routes1
Has abstractyes

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