Weizhi Xue

Next Generation of Ultra-Coarse-Graining: Self-Consistent Inference of Critical Internal States

Self-Consistent UCG (SC-UCG), which uses the underlying UCG interactions directly to assign internal states without designing CVs in the CG ensemble, and enhances the RLE Hamiltonian with the Bethe approximation and AI-based inference to represent explicit correlations between UCG beads.