

This platform automates molecular generation and simulates photosensitive insulating materials using GPU-based computations and machine learning. It predicts key properties like thermal stability and photosensitivity, ac...

A GPU-based computational platform utilizing machine learning and molecular dynamics to predict polyolefin degradation under chemical conditions, enhancing material design and testing efficiency.

A multiscale modeling approach utilizing DFT, quantum methods, MD simulations, and machine learning to predict 3D deformation of soft, flexible materials. This method aims for high-accuracy predictions to inform material...