Non-Equilibrium Molecular Dynamics
Introduce much larger fluctuation artificially
- dramatically improve signal-to-noise of response
Measure steady-state response
Corresponds more closely to experimental procedure
- create flow of momentum, energy, mass, etc. to measure…
- …shear viscosity, thermal conductivity, diffusivity, etc.
Advantages
- better quality of measurement
- can also examine nonlinear response
Disadvantages
- limited to one transport process at a time
- may need to extrapolate to linear response