Silicon oxidation is a pivotal process in the manufacture and performance optimisation of microelectronic devices. Recent advances in molecular dynamics simulations, particularly those employing the ...
Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...
Computational techniques are invaluable for exploring complex configurational and compositional spaces of molecular and material systems. The accuracy and efficiency, however, depend on the chosen ...
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