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Adaptive multi-stage integrators for optimal energy conservation in molecular simulations 

Fernández-Pendás, M.; Akhmatskaya, E.Autoridad BCAM; Sanz-Serna, J.M. (2016-10-01)
We introduce a new Adaptive Integration Approach (AIA) to be used in a wide range of molecular simulations. Given a simulation problem and a step size, the method automatically chooses the optimal scheme out of an available ...

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Author
Akhmatskaya, E. (1)
Fernández-Pendás, M. (1)
Sanz-Serna, J.M. (1)Subject
Adaptive integration (1)
GROMACS (1)Hybrid Monte Carlo (1)Molecular dynamics (1)Multi-stage integrators (1)Velocity Verlet (1)... másFecha2016 (1)

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