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NAFFS can reduce simulation time for rare molecular events by up to three orders of magnitude while maintaining statistical rigor and mechanistic insight.
ROKS-DFT delivers excited-state calculations with TDDFT-level accuracy but at ground-state DFT computational cost, opening the door to affordable simulations of extended systems.
NATPS offers a computationally cheaper route to simulating rare photochemical events by combining time-reversible nonadiabatic dynamics with transition path sampling.