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Machine learning the computational cost of quantum chemistry

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Heinen Stefan, Schwilk Max, von Rudorff Guido Falk, von Lilienfeld O Anatole,
Project Big Data for Computational Chemistry: Unified machine learning and sparse grid combination technique for quantum based molecular design
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Original article (peer-reviewed)

Journal Machine Learning: Science and Technology
Volume (Issue) 1(2)
Page(s) 025002 - 025002
Title of proceedings Machine Learning: Science and Technology
DOI 10.1088/2632-2153/ab6ac4

Open Access

Type of Open Access Publisher (Gold Open Access)