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20132023
most citedANI-1: An extensible neural network potential with DFT accuracy at force field computational cost

2.1k citations · 3.7k across the 10 of their papers we have counts for

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cond-mat.mes-hall2013★ 269 cited

Coherent electron transport through an azobenzene molecule: A light-driven molecular switch

Chun Zhang, M. -H. Du, H. -P. Cheng +3

We apply a first-principles computational approach to study a light-sensitive molecular switch. The molecule that comprises the switch can convert between a trans and a cis configu…