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density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1

From the 1 of 42 linked papers with an AI index.

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20022026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 60.7k across the 41 of their papers we have counts for

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cond-mat.soft2007

Kohn anomalies and non-adiabaticity in doped carbon nanotubes

Nicolas Caudal, A. Marco Saitta, Michele Lazzeri +1

The high-frequency Raman-active phonon modes of metallic single-walled carbon nanotubes (SWNTs) are thought to be characterized by Kohn anomalies (KAs), which are expected to be mo…