Ruisheng Zhang

Capturing Spatial Covariance for Efficient Multipolar Electrostatic Parameterization in DNA via Multioutput Learning

Abstract In DNA force field development, introducing high-rank atomic multipole moments (AMMs) to describe electron cloud anisotropy improves the accuracy of electrostatic energy calculations. However, high-rank AMMs have many components. Existing machine learning methods usually...

Balancing Interfacial Adsorption and Ion Migration Through a High‐Entropy‐Engineered Oxide for Durable Zinc Anodes

ABSTRACT Oxide coatings, owing to their electronic insulation and ionic conductivity, are promising artificial interfacial layers for stabilizing Zn anodes. However, conventional single‐phase, multiphase, and low‐entropy oxides remain insufficient to simultaneously address the co...