activity
20192023
most citedASGN: An Active Semi-supervised Graph Neural Network for Molecular Property Prediction

115 citations · 307 across the 9 of their papers we have counts for

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Showing 2019Show all

2 papers · 1 filter

physics.chem-ph2019

Deep Learning for Optoelectronic Properties of Organic Semiconductors

Chengqiang Lu, Qi Liu, Qiming Sun +4

Atomistic modeling of energetic disorder in organic semiconductors (OSCs) and its effects on the optoelectronic properties of OSCs requires a large number of excited-state electron…

physics.comp-ph2019★ 28 cited

Molecular Property Prediction: A Multilevel Quantum Interactions Modeling Perspective

Chengqiang Lu, Qi Liu, Chao Wang +3

Predicting molecular properties (e.g., atomization energy) is an essential issue in quantum chemistry, which could speed up much research progress, such as drug designing and subst…