Explicit symplectic integrators of molecular dynamics algorithms for rigid-body molecules in the canonical, isobaric-isothermal, and related ensembles
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2434972
Reference21 articles.
1. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
2. C. W. Gear,Numerical Initial Value Problems in Ordinary Differential Equations(Prentice-Hall, Englewood Cliffs, NJ, 1971), Ch. 9, p. 136.
3. Construction of higher order symplectic integrators
4. Reversible molecular dynamics for rigid bodies and hybrid Monte Carlo
5. Symplectic quaternion scheme for biophysical molecular dynamics
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