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Generative AI for atomistic nanomaterial reconstruction: from static structures to conditioned ensembles

Figure 2. Dynamic surface reconstruction and catalytic-activity fluctuations of Pt nanoparticles during CO oxidation[15]. Reprinted with permission from reference[15], under the terms of the CC BY-NC-ND 4.0 License. TOF: Turnover frequency; NP: nanoparticle.