Atomistic Simulations

Atomistic simulations are computer models that mimic the behavior of materials at the atomic level. They use the principles of physics and chemistry to predict how atoms and molecules move and interact over time. By simulating these interactions, scientists can understand properties like strength, flexibility, or reactivity of materials without physical experiments. These simulations help in designing new materials, optimizing processes, and understanding fundamental phenomena, providing detailed insights that are often difficult or impossible to observe directly in laboratory settings.