Contamination of natural water resources by industrial organic pollutants poses serious environmental and health risks, creating a need for efficient and sustainable wastewater treatment technologies. TiO2 is widely regarded as an eco-friendly and low-cost photocatalyst, but it is normally used as a dispersed powder, w...
M. Amiri, M. Ahmadi, Mahtab Salari Mehr et al.· ACS Omega· 0 citations
This tutorial-style article demonstrates seven ML approaches that accelerate or augment simulations relevant to the oxygen reduction reaction on platinum-based catalysts, including machine-learned exchange–correlation functionals, Gaussian-process optimizers, Bayesian configuration search, and a range of ML interatomic...
Bruno Inácio da Silva Roux Leite, Anna Stepanova, Timmo-Hendrik Pukk et al.· ACS Materials Au· 0 citations
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