Physics-aware benchmark reveals why similar materials AI models can predict thermal conductivity differently

Material properties such as sound insulation, resistance to extreme heat and thermal expansion originate from how the zillions of microscopic building blocks (nuclei and electrons) interact at equilibrium and respond to perturbations. Atoms are typically about one ten-billionth of a meter across, so there can be a lot of parts to keep track of—a task that is complicated at the quantum-mechanical level, where particles are neither here nor there until observed.