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Research Output 2018 2019

294 Downloads (Pure)
Open Access
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183 Downloads (Pure)

Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

Ghosh, K., Stuke, A., Todorović, M., Jørgensen, P. B., Schmidt, M. N., Vehtari, A. & Rinke, P., 2019, In : Advanced Science. 6, 7 p., 1801367.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
70 Downloads (Pure)

Materials property prediction using symmetry-labeled graphs as atomic position independent descriptors

Jørgensen, P. B., Garijo del Río, E., Schmidt, M. N. & Jacobsen, K. W., 2019, In : Physical Review B. 100, 10, 12 p., 104114.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
679 Downloads (Pure)

Deep Generative Models for Molecular Science

Jørgensen, P. B., Schmidt, M. N. & Winther, O., 2018, In : Molecular Informatics. 37, 1-2, 9 p., 1700133.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
813 Downloads (Pure)

Machine learning-based screening of complex molecules for polymer solar cells

Jørgensen, P. B., Mesta, M., Shil, S., García Lastra, J. M., Jacobsen, K. W., Thygesen, K. S. & Schmidt, M. N., 2018, In : Journal of Chemical Physics. 148, 13 p., 241735.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File

Projects 2016 2019