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20232026
most citedModel-free quantification of completeness, uncertainties, and outliers in atomistic machine learning using information theory

29 citations · 60 across the 9 of their papers we have counts for

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2 papers · 1 filter

cond-mat.mtrl-sci2023★ 18 cited

Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances

Daniel Schwalbe-Koda, Daniel E. Widdowson, Tuan Anh Pham +1

Zeolites are inorganic materials known for their diversity of applications, synthesis conditions, and resulting polymorphs. Although their synthesis is controlled both by inorganic…

physics.comp-ph2023★ 5 cited

mkite: A distributed computing platform for high-throughput materials simulations

Daniel Schwalbe-Koda

Advances in high-throughput simulation (HTS) software enabled computational databases and big data to become common resources in materials science. However, while computational pow…