Simulation of nanomaterial mechanical properties

Machine learning-assisted design of auxetic nanostructures

Quantum mechanics/molecular mechanics (QM/MM) for nanowire defects

Data-driven plasticity models for nanocrystalline metals

Non-equilibrium MD of nanomaterial shock response

Graph neural networks for nanocomposite fatigue prediction

Kinetic Monte Carlo for irradiation hardening in nanostructured steels

Topology optimization of truss-based nanomechanical metamaterials

Reactive force field (ReaxFF) simulations of ceramic nanoparticle sintering