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Spectrally accurate fast Ewald summation
In molecular dynamic simulations the evaluation of forces resulting from electrostatic interactions requires fast algorithms. Even so, it is often a bottle neck in simulations. A new highly accurate method for this has been developed. The new method has initiated a SeRC project in which the method is implemented in Gromacs and compared to existing state-of-the-art methods.
• D. Lindbo and A.-K. Tornberg. (2011) "Spectral accuracy in fast Ewald-based methods for particle simulation." J. Comput. Phys. 230, pp 844-8761