Multiscale modelling platform for predicting hair-product interactions
An innovative multiscale modelling platform integrates molecular simulations and fluid dynamics to predict hair-product interactions. It offers insights into both immediate dynamics and long-term effects, enhancing formulation design.
Overview
This innovative multiscale modelling platform integrates molecular-level simulations with macroscopic fluid dynamics to predict hair-product interactions. By developing quantitative structure-property relationships from atomistic to mesoscopic simulations, the platform can forecast key physical parameters required for frameworks like libWetHair. This comprehensive approach facilitates the evaluation of immediate physical dynamics and long-term chemical effects, offering valuable insights into how different formulations interact with hair in various conditions.
Technical specifications
Key features:
- Utilizes multiscale simulations to integrate molecular insights into fluid dynamics frameworks.
- Develops quantitative structure-property relationships (QSPRs) for predicting physical parameters.
- Employs molecular dynamics at different resolutions: atomistic, coarse-grained, and mesoscopic.
- Enables visual simulation of hair-product interactions, such as disentangling wet hair.
- Provides insights into long-term chemical interactions affecting hair's structural and mechanical properties.
Technology readiness level
This platform is currently at Technology Readiness Level 3, indicating that active research and development are underway with a focus on validating the approach through experimental observations and simulations. The next steps include developing QSPRs and employing enhanced sampling molecular dynamics to further understand interaction mechanisms.
About Lancaster University
Lancaster University is a research‑intensive public university in Lancaster, England, with a comprehensive academic portfolio and a strong applied innovation culture. On campus, industry‑engaged labs, shared prototyping spaces, and co‑located incubator facilities sit alongside dedicated business partnership teams, enabling companies to work shoulder‑to‑shoulder with faculty. Proximity to the North West industrial corridor and links with regional NHS partners streamline pilots and scale‑up. Research is supported by competitive funding from UK Research and Innovation councils and Innovate UK, with additional support from NHS/NIHR programs. A dedicated technology transfer office manages IP, licensing, and spinouts, with clear pathways for sponsored research and collaboration.
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