Materials and Energy Research Center

PolyTransGAN enables neuro-symbolic inverse design of 4D-printable shape-memory polymers

While the shape-memory polymer (SMP) inverse design is promising for 4D printing, it is hindered by the large chemical space and the lack of physics-aware generative models. We introduce a neuro-symbolic method, called PolyTransGAN, which combines coarse-grained molecular dynamic...