Molecular dynamics: Difference between revisions
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Carl McBride (talk | contribs) m (Added an internal link to Non-equilibrium molecular dynamics) |
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*[[Liouville-von Neumann molecular dynamics]] | *[[Liouville-von Neumann molecular dynamics]] | ||
*[[Milestoning]] | *[[Milestoning]] | ||
*[[Non-equilibrium molecular dynamics]] (NEMD) | |||
*[[Rigid bodies]] | *[[Rigid bodies]] | ||
*[[Thermostats]] | *[[Thermostats]] | ||
Revision as of 11:19, 28 September 2009
- Ab initio molecular dynamics
- Barostats
- Car-Parrinello technique
- Constraints:
- Event-driven molecular dynamics
- Initial configuration
- Integrators for molecular dynamics
- Liouville-von Neumann molecular dynamics
- Milestoning
- Non-equilibrium molecular dynamics (NEMD)
- Rigid bodies
- Thermostats
- Time step
- RESPA a multiple time step method.
- Velocity Verlet algorithm
- Verlet leap-frog algorithm
- Virial pressure