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20182025
most citedExceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles

625 citations · 1.4k across the 19 of their papers we have counts for

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Showing 2025 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2025

Towards superior van der Waals density functionals for molecular crystals

Dmitry V. Fedorov, Nikita E. Rybin, Mikhail A. Averyanov +3

Ubiquitous van der Waals (vdW) interactions play a subtle yet crucial role in determining the precise atomic arrangements in solids, particularly in molecular crystals where these…