Published: 13 March 2018| Version 1 | DOI: 10.17632/y7rmty9457.1
This data corresponds to BCA and MD simulations that were performed to demonstrate the performance of the combined BCA-MD method. BCA-MD results are systematically compared to full MD simulations. The speedup of the BCAMD is calculated.
Centro de Investigaciones Energeticas Medioambientales y Tecnologicas
Atomic Collisions, Molecular Dynamics