SPACIER: Automated polymer design tool integrating machine learning and molecular simulations – advancing the discovery of high-performance optical polymers
Peer-Reviewed Publication
Updates every hour. Last Updated: 6-May-2025 16:09 ET (6-May-2025 20:09 GMT/UTC)
・The research group has developed SPACIER, a cutting-edge polymer material design tool that combines machine learning with molecular simulations.
・Utilizing SPACIER, the team successfully synthesized novel optical polymers that exceed the empirical limits of refractive index and Abbe number (a measure for the wavelength dependence of refractive index).
・SPACIER was designed to integrate seamlessly with RadonPy, a platform that fully automates computational experiments for polymer materials. By utilizing RandonPy’s automated molecular simulation capabilities, SPACIER facilitates the design of polymer materials tailored to a wide range of physical properties and material systems.
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