- Review
Molecular Dynamics at Constant Pressure: Allowing the System to Control Volume Fluctuations via a “Shell” Particle
- Mark J. Uline and
- David S. Corti
Since most experimental observations are performed at constant temperature and pressure, the isothermal-isobaric (NPT) ensemble has been widely used in molecular simulations. Nevertheless, the NPT ensemble has only recently been placed on a rigorous...

