Molecular dynamics: Difference between revisions
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**[[WIGGLE]] | **[[WIGGLE]] | ||
*[[Event-driven molecular dynamics]] | *[[Event-driven molecular dynamics]] | ||
*[[GWTS algorithm]] | |||
*[[Initial configuration]] | *[[Initial configuration]] | ||
*[[Integrators for molecular dynamics]] | *[[Integrators for molecular dynamics]] | ||
Revision as of 12:29, 16 November 2009
- Ab initio molecular dynamics
- Barostats
- Car-Parrinello technique
- Constraints:
- Event-driven molecular dynamics
- GWTS algorithm
- Initial configuration
- Integrators for molecular dynamics
- Liouville-von Neumann molecular dynamics
- Materials modelling and computer simulation codes
- Milestoning
- Multi-particle collision dynamics
- 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