Predictive modeling platform for fragrance formulation

Technology
Conceptual
University

A physics-informed computational platform that predicts fragrance interactions and optimizes topical formulations for enhanced scent intensity, prolonged release, and improved stability. This reduces development time and cost by leveraging molecular modeling and machine learning.

Overview

The predictive modeling platform developed by UMass Lowell provides a novel approach to designing topical fragrance formulations. By integrating molecular modeling, statistical mechanics, and machine learning, the platform accelerates the development of formulations with enhanced scent intensity, prolonged fragrance release, and improved phase stability. This solution shifts away from traditional trial-and-error methods, offering a more efficient and cost-effective pathway to creating stable, long-lasting fragrance delivery systems.

Technical specifications

Key features:

  • Predictive modeling: Utilizes molecular interactions, phase behavior, diffusion, and volatility insights to enhance fragrance retention and controlled release.
  • Comprehensive computational framework: Combines physics-informed machine learning and molecular simulations to predict phase stability, diffusion, volatility, and release behavior.
  • Experimental validation: Collaborates with partners for sensory evaluation and stability testing to refine predictive models and formulation recommendations.

The platform is designed to rapidly identify carrier systems, polymers, and stabilizers that optimize fragrance performance, providing validated formulation recommendations and a computational workflow for accelerated design.

Technology readiness level

The technology is currently at TRL 3, indicating that it has been experimentally validated in a laboratory environment. Future phases will continue to refine the models and validate formulations in collaboration with partners, aiming to enhance the framework's accuracy and application scope.


About University of Massachusetts Lowell

UMass Lowell is a comprehensive public research university in the University of Massachusetts system, known for hands-on, industry-aligned education. Industry partners engage through open-access core research facilities and pilot-scale labs for prototyping and scale-up, supported by staff for contract services. A robust co-op program connects companies with student and faculty talent, while incubator and coworking sites near campus offer labs and flexible space. Research is supported by competitive federal funding from agencies such as the National Science Foundation, National Institutes of Health, Department of Energy, and Department of Defense. A dedicated technology transfer office supports IP, licensing, sponsored research, and startup formation to streamline commercialization.

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