GPU implementation of quantum scattering dynamics

• 作 者: Ke-Li Han
• 机 构: State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese A
• 出 处: International Conference on Theoretical and High Performance
• 发表日期: 2013年7期

　　Graphics processing unit (GPU) computing has been successfully applied in some scientific simulations.In this work we developed an efficient GPU version of a time-dependent wave-packet code for atom-diatom state-to-state reactive scattering processes.Both the reactant Jacobi coordinates and product Jacobi coordinates approach are implemented.