ReviewMaterials horizons2025
Models connecting microstructure and charge transport in disordered semiconducting polymers: from theories to digital design.
Review in Materials horizons, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
1 citing paper in PubMed.
- From Quantum Mechanics to Coarse-Grained Models: Bridging the Gap toward Polymer Rational Design.Journal of chemical theory and computation · 2026Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Theoretical methods connecting chemical composition, structure, electronic properties and charge transport properties are reviewed with focus on the approaches used to connect between models at different resolutions. Within each scale of modelling the research field has reached a good level of maturity and consensus between practitioners. Phenomenological models can now be fully justified by microscopic models derived from first principles. The latter can be parametrized from atomistic models combining classical simulations of realistic systems, to obtain the microstructure, and electronic structure calculations. The throughput of such atomistic models has improved substantially and they can now be faster than synthesis and characterisation of novel polymers. Overall, the community has now achieved the capability of performing computer-aided design of semiconducting polymers with the expectation that the next generation of materials will be, for the first time, digitally designed.
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Registered trials
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