most citedStructure and dynamics of the magnetite(001)/water interface from molecular dynamics simulations based on a neural network potential

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cond-mat.mtrl-sci2025

Automated Modeling of Polarons: Defects and Reactivity on TiO(110) Surfaces

Firat Yalcin, Carla Verdi, Viktor C. Birschitzky +3

Polarons are widespread in functional materials and are key to device performance in several technological applications. However, their effective impact on material behavior remain…