MaterialsAtlas Reading List

Perspective on integrating machine learning into computational chemistry and materials science

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Primer Paper for Materials benchmarking. Primer/perspective candidate for entering Materials benchmarking; selected for broad framing, teachability, venue strength, and citation signal.

Citation: Julia Westermayr, Michael Gastegger, Kristof T. Schütt, Reinhard J. Maurer. Perspective on integrating machine learning into computational chemistry and materials science. The Journal of Chemical Physics 2021. https://doi.org/10.1063/5.0047760

Acknowledgement: Curated by MaterialsAtlas Open Resources from OpenAlex, Crossref, and manual landmark-paper review.

TypeReading List

DomainMaterials benchmarking

LicenseScholarly article; see publisher

ContributorsJulia Westermayr, Michael Gastegger, Kristof T. Schütt, Reinhard J. Maurer