Machine learning for quantum dynamics: deep learning of excitation energy transfer properties, Chem. Sci., 2017, 8, 8419–8426 — Kebotix

Machine learning for quantum dynamics: deep learning of excitation energy transfer properties, Chem. Sci., 2017, 8, 8419–8426

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High-Throughput Virtual Screening

High-Throughput Virtual Screening

A virtual study combining deep learning, domain knowledge and quantum chemistry identified new...

Science

High Electrical Conductivity in Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2, a Semiconducting Metal–Organic Graphene Analogue, J. Am. Chem. Soc. 2014, 136, 8859–8862

High Electrical Conductivity in Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2, a Semiconducting Metal–Organic Graphene Analogue, J. Am. Chem. Soc. 2014, 136, 8859–8862

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