Dynamical correlations and transport coefficients

Dynamics is why we do molecular dynamics!

• Perturbation theory
• Linear-response theory
• Diffusion constants, velocity-velocity auto correlation fct.
• Transport coefficients
• Diffusion: Particle flux
• Viscosity: Stress tensor
• Heat transport: energy current
• Electrical Conductivity: electrical current

Researchers should cite this work as follows:

• David M. Ceperley (2009), "Illinois PHYS 466, Lecture 7: Dynamical Correlations & Transport Coefficients," http://nanohub.org/resources/6409.

  BibTex | EndNote

1. atomic simulation
2. course lecture
3. CSE
4. Illinois
5. material properties
6. materials
7. material science
8. MATSE
9. nanoelectronics
10. PHYS
11. Physics