NPT ensemble

The NPT ensemble is a way scientists model a system, like a molecule or a group of atoms, where the Number of particles (N), Pressure (P), and Temperature (T) are kept constant. This approach simulates real-world conditions, allowing researchers to study how the system behaves under specific pressure and temperature. It's useful for understanding properties like density and phase changes. Essentially, NPT helps scientists analyze materials in a controlled environment that closely mimics natural settings, enabling accurate predictions of their behavior in practical applications.