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20162025
most citedA Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules

241 citations

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Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2024★ 18 cited

Accelerating QM/MM simulations of electrochemical interfaces through machine learning of electronic charge densities

Andrea Grisafi, Mathieu Salanne

A crucial aspect in the simulation of electrochemical interfaces consists in treating the distribution of electronic charge of electrode materials that are put in contact with an e…