• Atomistic modeling of covalent materials in nanoscale contexts, integrating empirical many-body potentials (Tersoff-type) [7], semiempirical embeddings for silicon [1], ab initio multicenter tight-binding forces [18], and empirical tight-binding MD [10], to describe bonding, structure, and surface phenomena in silicon (including epitaxial growth) [17].

• Epitaxial growth and surface diffusion at the nanoscale: atomistic simulations reveal growth modes, diffusion-driven roughening, and phase-like transitions with scaling, across silicon surfaces [17], kinetic growth universality [11], kinetic roughening [16], surface instability [8], anisotropic dimer openings [14], and pulsed melting [20].

• Amorphous silicon structure and electronic properties via MD and ab initio approaches: amorphous networks generated by MD with two- and three-body Si potentials and parameter-free quantum data, matching structure, vibrational spectra, and electronic states [2], [9].

• Langevin dynamics and stochastic-quantum MD enable exploration of silicon clusters and nanoscale systems: stochastic forces and quantum interactions yield low-energy configurations and cluster structures [12], [13].