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…
physics.chem-ph2025
High-Accuracy Physical Property Prediction for Organics via Molecular Representation Learning: Bridging Data to Discovery
Qi Ou, Hongshuai Wang, Minyang Zhuang +4
The ongoing energy crisis has underscored the urgent need for energy-efficient materials with high energy utilization efficiency, prompting a surge in research into organic compoun…