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

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19982026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 39.6k across the 27 of their papers we have counts for

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Showing 2008 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2008

Lowering Effective Coordination Promotes Adsorption of NO on Rh(100) and Rh/MgO(100)surfaces

Raghani Pushpa, Prasenjit Ghosh, Shobhana Narasimhan +1

We have studied the adsorption of NO, and the coadsorption of N and O, on four physical and hypothetical systems: unstrained and strained Rh(100) surfaces and monolayers of Rh atom…