activity
20192024
most citedDatabase of 2D hybrid perovskite materials: open-access collection of crystal structures, band gaps and atomic partial charges predicted by machine learning

179 citations · 539 across the 12 of their papers we have counts for

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2 papers · 1 filter

cond-mat.mtrl-sci2024

Data-driven prediction of structure of metal-organic frameworks

Elizaveta Yakovenko, Iurii Nevolin, Anatoliy Chasovskikh +2

Crystal structure prediction (CSP) has proven to be a highly effective route for discovering new materials. Substantial advancements have been made in CSP of inorganic and molecula…

cond-mat.mtrl-sci2024★ 8 cited

Machine Learning Recognition of hybrid lead halide perovskites and perovskite-related structures out of X-ray diffraction patterns

E. I. Marchenko, V. V. Korolev, E. A. Kobeleva +5

Identification of crystal structures is a crucial stage in the exploration of novel functional materials. This procedure is usually time-consuming and can be false-positive or fals…