Transferring predictions of formation energy across lattices of increasing size by Massimiliano Lupo Pasini, Mariia Karabin, Markus Eisenbach

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Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules by Massimiliano Lupo Pasini, Kshitij Mehta, Pilsun Yoo, Stephan Irle

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Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules by Jong Youl Choi, Pei Zhang, Kshitij Mehta, Andrew Blanchard, Massimiliano Lupo Pasini

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Deep learning workflow for the inverse design of molecules with specific optoelectronic properties by Pilsun Yoo, Debsindhu Bhowmik, Kshitij Mehta, Pei Zhang, Frank Liu, Massimiliano Lupo Pasini, Stephan Irle

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