Introduction to Accelerated Molecular Dynamics
Conference
·
OSTI ID:1045982
- Los Alamos National Laboratory
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.
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- DOE/LANL
- DOE Contract Number:
- AC52-06NA25396
- OSTI ID:
- 1045982
- Report Number(s):
- LA-UR-12-22819; TRN: US1203920
- Resource Relation:
- Conference: COSIRES Summer School ; 2012-06-22 - 2012-06-22 ; Santa Fe, New Mexico, United States
- Country of Publication:
- United States
- Language:
- English
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