2 papers
physics.chem-ph2026
Empowering Polymeric Materials Discovery by Artificial Intelligence
Chenyao Ma, Linda Zhang, Yuheng Chen +29
Polymeric materials underpin modern technologies spanning energy storage, microelectronics, healthcare and sustainable manufacturing. Yet their rational design remains exceptionall…
physics.chem-ph2026
Learning to Dock: Geometric Deep Learning for Predicting Supramolecular Host-Guest Complexes
Zidi Wang, Tao Zhang, Muyao Yu +7
Predicting non-covalent host-guest recognition remains challenging due to the complex interplay of electrostatics, dispersion, and steric effects, and the limited transferability o…