2 papers
physics.chem-ph2026
3D Molecular Representation Learning for Organic Mixtures: Viscosity and Density Prediction
Haicheng Qu, Yanyi Su, Ning Wang +4
The viscosity and density of organic mixtures are essential properties for designing lubricants, solvents, and heat transfer fluids. In engineering practice, formulating a function…
cond-mat.soft2025
PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models
Fanmeng Wang, Wentao Guo, Qi Ou +4
Polymer conformation generation is a critical task that enables atomic-level studies of diverse polymer materials. While significant advances have been made in designing conformati…