COMPUTATIONAL MODELING APPROACHES IN NANOTECHNOLOGY: SIMULATIONS FOR MATERIAL SCIENCE
Keywords:
Nanotechnology, Computational Modeling, Molecular Dynamics, ensity Functional Theory, Multiscale Simulation, Material ScienceAbstract
Computational modeling has become a fundamental tool in nanotechnology, enabling researchers to analyze, predict, and optimize material behavior at the nanoscale. This study reviews major computational approaches, including molecular dynamics, density functional theory, Monte Carlo simulations, and multiscale modeling, and their applications in material science. By integrating simulations with experimental methods, researchers can accelerate materialdiscovery, reduce development costs, and enhance performance. The paper highlights recent advancements, practical applications, and future challenges in nanoscale
simulations, emphasizing their role in designing next-generation nanomaterials.
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