Introduction to Accelerated Molecular Dynamics [electronic resource].
- Los Alamos, N.M. : Los Alamos National Laboratory, 2012. and Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
- Additional Creators:
- Los Alamos National Laboratory and United States. Department of Energy. Office of Scientific and Technical Information
- Restrictions on Access:
- Free-to-read Unrestricted online access
- Molecular Dynamics is the numerical solution of the equations of motion of a set of atoms, given an interatomic potential V and some boundary and initial conditions. Molecular Dynamics is the largest scale model that gives unbiased dynamics [x(t),p(t)] in full atomistic detail. Molecular Dynamics: is simple; is 'exact' for classical dynamics (with respect to a given V); can be used to compute any (atomistic) thermodynamical or dynamical properties; naturally handles complexity -- the system does the right thing at the right time. The physics derives only from the interatomic potential.
- Published through SciTech Connect., 07/10/2012., "la-ur-12-22819", COSIRES Summer School ; 2012-06-22 - 2012-06-22 ; Santa Fe, New Mexico, United States., and Perez, Danny.
- Funding Information:
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