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Machine Learning Models of Vibrating H 2 CO: Comparing Reproducing Kernels, FCHL, and PhysNet

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Käser Silvan, Koner Debasish, Christensen Anders S., von Lilienfeld O. Anatole, Meuwly Markus,
Project Sampling chemical space with alchemical perturbation theory
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Original article (peer-reviewed)

Journal The Journal of Physical Chemistry A
Volume (Issue) 124(42)
Page(s) 8853 - 8865
Title of proceedings The Journal of Physical Chemistry A
DOI 10.1021/acs.jpca.0c05979