A multiple time step scheme that treats the adaptively compressed exchange force as fast and the exact-exchange correction as slow produces stable hybrid-functional AIMD trajectories at about 7x lower per-step cost for 32 water.
Zhang , author D
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Speeding-up Ab Initio Molecular Dynamics with Hybrid Functionals using Adaptively Compressed Exchange Operator based Multiple Timestepping
A multiple time step scheme that treats the adaptively compressed exchange force as fast and the exact-exchange correction as slow produces stable hybrid-functional AIMD trajectories at about 7x lower per-step cost for 32 water.