Matthias Rupp

3PUBLICATIONS
9CO-AUTHORS
Powder and particle technologyDeep learningStatistical mechanics in chemistry
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Publications (3)

|Jul 17, 2020
Assessing the frontier: Active learning, model accuracy, and multi-objective candidate discovery and optimization.

Zachary Del Rosario, Matthias Rupp, Yoolhee Kim

|Jun 03, 2019
Chemical diversity in molecular orbital energy predictions with kernel ridge regression.

Annika Stuke, Milica Todorović, Matthias Rupp

|Jul 02, 2018
Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry.

Matthias Rupp, O Anatole von Lilienfeld, Kieron Burke

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