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Articles

Coverage- and Facet-Dependent Multiscale Modeling of O* and H* Adsorption on Pt Catalytic Nanoparticles

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By van Santen, Schlexer Lamoureux, Ayodeji Omoniyi, Garrido Torres
| dx.doi.org
Modern heterogeneous catalysis methodologies currently grant researchers the capacity to zoom in to nanoscale levels, investigate, and gain insights that are translatable to the macroscale performance. (1−5) These insights help to provide a greater understanding of the activity at the catalyst–reactant interface, and all of this fundamental knowledge helps to design more efficient catalysts.
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Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning

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By Marzieh Saeedimasine, Roja Rahmani, Alexander P Lyubartsev, Schlexer Lamoureux
| dx.doi.org
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Chem. Inf. Model. 2024, XXXX, XXX RETURN TO ARTICLES ASAPComputational Chemis...Computational ChemistryNEXT , Roja Rahmani Department of Materials and Environmental Chemistry, Stockholm University, Stockholm SE-106 91, Sweden , and * Cite this: J. Chem. Inf. Model. 2024, XXXX, XXX .
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