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Podcast: ECP EXAALT Program Extends the Reach of Molecular Dynamics

Computationally, EXAALT’s goal is to develop a comprehensive molecular dynamics capability for exascale. “The user should be able to say, ‘I’m interested in this kind of system size, timescale, and accuracy,’ and directly access the regime without being constrained by the usual scaling paths of current codes,” said Danny Perez of Los Alamos National Laboratory (LANL) and the EXAALT team.