Multi-Scale Approach for Designing New Ferroelectric Liquid Crystals with Nonlinear Optical Properties
Why this work is in the frame
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Bibliographic record
Abstract
Macroscopic nonlinear optical (NLO) properties can arise due to the presence of a polar axis in chiral smectic C phases. A specific molecular design, based on a multi-scale approach, is suggested to induce valuable NLO responses. The design actually proceeds through two principal steps. Firstly, at the empirical design stage, one needs to propose a series of molecules with structures which fit the Boulder model. The second step, the rational design, corresponds to the multi-scale approach. ab initio and atomistic simulations are thus used to avoid difficulties in computing the distribution functions required to compare molecular and macroscopic NLO properties.
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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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 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