The CMD approach provides an integrated framework, individual components of which are closely related to various approaches aimed at overcoming the time-scale problem in MD. It is demonstrated that CMD is a useful approach to extract thermodynamic and kinetic properties of molecular systems, and to extrapolate their long-time dynamics.
|Original language||English (US)|
|Number of pages||12|
|Journal||Journal of Chemical Physics|
|State||Published - Jun 15 2003|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry