PROGRESS IN THE THEORY OF MIXED QUANTUM-CLASSICAL DYNAMICS
Why this work is in the frame
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Bibliographic record
Abstract
Quantum-classical Liouville dynamics can be used to study the properties of open quantum systems that are coupled to bath or environmental degrees of freedom whose dynamics can be approximated by classical equations of motion. In contrast to many open quantum system approaches, quantum-classical dynamics provides a detailed description of the bath molecules. Such a description is especially appropriate for the study of quantum rate processes, such as proton and electron transport, where the detailed dynamics of the bath has a strong influence on the quantum rate. The quantum-classical Liouville equation can also serve as a starting point for the derivation of reduced descriptions where all or some of the bath degrees of freedom are projected out. Quantum-classical Liouville dynamics can be simulated in terms of an ensemble of surface-hopping trajectories whose character differs from that in other surface-hopping schemes. The results of studies of proton transfer in condensed phase and reactive dynamics in a dissipative environment are presented to illustrate applications of the formalism.
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it