Molecular dynamics: Difference between revisions
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*[[Virial pressure]] | *[[Virial pressure]] | ||
==General reading== | ==General reading== | ||
*[http://dx.doi.org/10.2277/0521825687 D. C. Rapaport "The Art of Molecular Dynamics Simulation", Cambridge University Press] | *[http://dx.doi.org/10.2277/0521825687 D. C. Rapaport "The Art of Molecular Dynamics Simulation", 2nd Edition, Cambridge University Press (2004)] | ||
*[http://www.fz-juelich.de/nic-series/volume23/allen.pdf Michael P. Allen "Introduction to Molecular Dynamics Simulation", in ''Computational Soft Matter: From Synthetic Polymers to Proteins'', NIC Series '''Volume 23''' (2004)] | |||
[[category: Computer simulation techniques]] | [[category: Computer simulation techniques]] | ||
Revision as of 15:27, 7 April 2010
- 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