Building on this foundation, the group created SPACIER, an open-source software that integrates RadonPy with polymer design algorithms based on Bayesian optimization. Using the multi-objective ...

A research group has developed SPACIER, an advanced polymer material design tool that integrates machine learning with molecular simulations. As a proof of concept, the group successfully ...

(a) Structures and synthetic schemes of polymers P1-P3 discovered using SPACIER. mpPh-PTU, a polymer analogous to P3, was referenced instead of synthesizing P3, owing to the strong agreement ...