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20152026
most citedDFT-FE -- A massively parallel adaptive finite-element code for large-scale density functional theory calculations

195 citations · 418 across the 17 of their papers we have counts for

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Showing 2023 · cs.CEShow all

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cs.CE2023★ 2 cited

Bridging scales with Machine Learning: From first principles statistical mechanics to continuum phase field computations to study order disorder transitions in LixCoO2

G. H. Teichert, S. Das, M. Faghih Shojaei +5

LixTMO2 (TM=Ni, Co, Mn) forms an important family of cathode materials for Li-ion batteries, whose performance is strongly governed by Li composition-dependent crystal structure an…