Westermayr, Julia http://orcid.org/0000-0002-6531-0742
Faber, Felix A
Christensen, Anders S
von Lilienfeld, O Anatole http://orcid.org/0000-0001-7419-0466
Marquetand, Philipp http://orcid.org/0000-0002-8711-1533
Funding for this research was provided by:
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (NCCR MARVEL)
Austrian Science Fund (W 1232 (MolTag))
Universität Wien (Data Science @ Uni Vienna)
H2020 European Research Council (ERC-CoG grant QML)
Article Title: Neural networks and kernel ridge regression for excited states dynamics of CH2NH 2+ : From single-state to multi-state representations and multi-property machine learning models
Journal Title: Machine Learning: Science and Technology
Article Type: paper
Copyright Information: © 2020 The Author(s). Published by IOP Publishing Ltd
Publication dates
Date Received: 2019-12-18
Date Accepted: 2020-04-07
Online publication date: 2020-05-19