Communication: κ-dynamics—An exact method for accelerating rare event classical molecular dynamics
نویسندگان
چکیده
منابع مشابه
Communication: κ-dynamics--an exact method for accelerating rare event classical molecular dynamics.
κ-dynamics is an accelerated molecular dynamics method for systems with slow transitions between stable states. Short trajectories are integrated from a transition state separating a reactant state from products. The first trajectory found that leads directly to a product without recrossing the transition state and starts in the reactant state is followed. The transition time is drawn from a di...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2010
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3514030