Browsing Modelling and Simulation in Life and Materials Sciences by Subject "Adaptive integration"

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

Fernández-Pendás, M.; Akhmatskaya, E.; 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 ...