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cond-mat.mtrl-sci2025
Machine learned potential for defected single layer hexagonal boron nitride
John Janisch, Duy Le, Talat S. Rahman
Development of machine learned interatomic potentials (MLIP) is critical for performing reliable simulations of materials at length and time scales that are comparable to those in…
cond-mat.mtrl-sci2025★ 3 cited
Unveiling Coverage Dependent Interactions of N-Methylaniline with the Pt(111) Surface
Bushra Ashraf, Nils Brinkmann, Dave Austin +3
This study aims to elucidate the adsorption and surface chemistry of N-methylaniline (NMA) on Pt(111), using it as a model molecule to probe the activation mechanisms of aromatic a…