Modeling and simulation of amorphous materials focus on understanding atomic-level structures that lack long-range order but possess significant short-range order. Unlike crystals, these materials have no unit cell or Bragg peaks, requiring large-scale simulations to capture their structural randomness and property-shaping local environments. Core Simulation Methods
Provides the highest accuracy by including quantum-mechanical interactions but is limited to small systems (hundreds of atoms) due to extreme computational costs. Modeling and Simulation of Amorphous Materials ...
A generative diffusion model for amorphous materials - Nature Modeling and simulation of amorphous materials focus on