Author

Song Xia

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Open access Sep 2026

Bridging the accuracy-speed divide in reactive molecular dynamics with QuantaMind MD

QuantaMind is presented, a machine learning force field framework that attains density functional theory–level accuracy, enabling fully reactive simulations of complex molecular systems, and establishes a paradigm for long-timescale, fully reactive molecular simulation.

Song Xia, De-Qiang Zhang, Xue-Dong Shang et al. · Science Advances · 0 citations