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20182026
most citedDScribe: Library of Descriptors for Machine Learning in Materials Science

857 citations · 1.8k across the 8 of their papers we have counts for

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5 papers · 1 filter

cond-mat.mtrl-sci2026★ 1 cited

ML-guided screening of chalcogenide perovskites as solar energy materials

Diego A. Garzón, Lauri Himanen, Luisa Andrade +2

Chalcogenide perovskites have emerged as promising absorber materials for next-generation photovoltaic devices, yet their experimental realization remains limited by competing phas…

cond-mat.mtrl-sci2026★ 1 cited

An autonomous living database for perovskite photovoltaics

Sherjeel Shabih, Hampus Näsström, Sharat Patil +16

Scientific discovery is severely bottlenecked by the inability of manual curation to keep pace with exponential publication rates. This creates a widening knowledge gap. This is es…

cond-mat.mtrl-sci2023★ 99 cited

Updates to the DScribe Library: New Descriptors and Derivatives

Jarno Laakso, Lauri Himanen, Henrietta Homm +4

We present an update of the DScribe package, a Python library for atomistic descriptors. The update extends DScribe's descriptor selection with the Valle-Oganov materials fingerpri…

cond-mat.mtrl-sci2019★ 857 cited

DScribe: Library of Descriptors for Machine Learning in Materials Science

Lauri Himanen, Marc O. J. Jäger, Eiaki V. Morooka +5

DScribe is a software package for machine learning that provides popular feature transformations ("descriptors") for atomistic materials simulations. DScribe accelerates the applic…

cond-mat.mtrl-sci2018★ 21 cited

Understanding doped perovskite ferroelectrics with defective dipole model

J. Liu, L. Jin, Z. Jiang +6

While doping is widely used for tuning physical properties of perovskites in experiments, it remains a challenge to exactly know how doping achieves the desired effects. Here, we p…