Author

Haoyu Wan

2 papers indexed here

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Review Oct 2026

Specialized machine learning force fields for materials dynamics

Machine learning interatomic potentials (MLIPs) are transforming atomistic simulations by accessing unprecedented length and time scales. While pretrained equivariant graph neural networks achieve robust zero-shot performance for near-equilibrium properties across broad chemical spaces, their translation to complex mat...

Yue Wu, Hao-Yu Wan, Yuan Tian et al. · 0 citations

Open access Aug 2026

Learning Work Function via Implicit Reasoning on Electrostatic Potential Landscapes

A Graph‐Potential Cross‐Modal Contrastive Learning framework designed to uncover correlations between crystal and electronic structures and drive artificial intelligence to transcend simple numerical fitting and learn physically informative representations, facilitating future potential‐contour‐based inverse material d...

Hao-Yu Wan, Yue Wu, Tian-Hao Su et al. · Advancement of science · 0 citations