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Qi-Chao Hu

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#artificial intelligence Open access Oct 2026

Mapping the Molecular Universe

The success of large-language-models highlighted the importance of datasets, whose quantity, quality, and diversity dictate the accuracy and creativity of artificial intelligence (AI) systems in learning and inferring. However, in scientific domains, such datasets required for domain-specific AI/machine-learning (ML)...

Daniel C. Hannah, Yu-Min Zhang, S. Whittingham et al. · 0 citations
Preprint Aug 2026

Predictive Simulation of Interphases on Li Metal Surface

Interphases remain the least understood components in advanced batteries. Although their properties dictate whether a new battery chemistry could perform as designed, there has never been a reliable way to predict what an interphase could arise from a new electrolyte system due to the absence of atomistic level knowled...

Xinyu Li, Jingxuan Ding, Daniel C. Hannah et al. · 0 citations

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