A Self-Consistent Field Theory Formalism for Sequence-Defined Polymers
Bibliographic record
Abstract
Sequence-defined polymers open up a high-dimensional space for molecular self-assembly and material design, requiring more advanced tools for exploration of this space. Here, classical self-consistent field theory (SCFT) is extended to sequence-defined polymers; this new formalism uses a set of four-dimensional fields and a set of descriptor functions representing the polymer sequence. The self-consistent equations resulting from this formalism are invariant to sequence complexity. Its computational cost is shown to be a factor Ns (number of points used to discretize the polymer contour length) more expensive than the current SCFT formalism. A variety of copolymers of varying complexity are simulated with the new sequence SCFT formalism and are shown to match literature results. Additionally, sequence SCFT is shown to enable a method of investigating the configurational distribution of polymer chains which make up a phase-separated structure. The ease at which this new formalism handles complex polymer sequences will enable new discoveries of design rules governing sequence-controlled polymer properties.
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How this classification was reachedexpand
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 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
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".