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Author

Tianhao Su

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Open access Aug 2026

Learning Work Function via Implicit Reasoning on Electrostatic Potential Landscapes

ABSTRACT Precise work function engineering in two‐dimensional (2D) materials is pivotal for next‐generation nanoelectronic devices. However, current data‐driven approaches are often hampered by the scarcity of high‐precision data and a lack of physical interpretability. We propose a Graph‐Potential Cross‐Modal Contrast...

Haoyu Wan, Yue Wu, Tian-Hao Su et al. · 0 citations
Open access Jul 2026

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

ABSTRACT One‐step retrosynthesis prediction is fundamentally limited by the random training order of sequence‐to‐sequence models and the inherent mismatch between local text generation and global chemical topology. Here we present CLRe (Contrastive curriculum Learning for Retrosynthesis), a framework that integrates se...

Tian-Hao Su, Xi-Tao Wang, Mu-Sen Li et al. · 0 citations

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