The establishment of State Key Laboratory of Molecular Reaction Dynamics was approved by the State Planning Committee in 1987.  In 1992, this laboratory officially became an open laboratory.  The Laboratory is now the home of four prestigious members of CAS: Cunhao Zhang, Guozhong He, GuoheSha and Xueming Yang. The present director is Prof. Donghui Zhang , MCAS. The current term (6th) of academic advisory committee is chaired by Prof. Lansun Zheng, MCAS.

The research activities of this laboratory are primarily focused on developing and applying advanced chemical reaction dynamics experimental techniques and accurate dynamics theories, to explore the fundamental mechanisms of chemical reaction dynamics at the atomic, molecular, even quantum-state resolved levels. The main research directions include: dynamics of gas phases molecular reactions; structures and spectra of clusters; structures and dynamics of biological systems; dynamics of photochemical reactions at surfaces; dynamics of ultrafast processes in liquid phases; theories of reaction dynamics; new techniques and instruments for molecular reaction dynamics experiments.