Yue, Ling, Department of Chemistry , Faculty of Science, Xi'an Jiaotong University

• The 8th International Conference on Computational Methods (ICCM2017) - MS-008 Algorithms, Software and Applications of Large-Scale Computation
  Implementation of global switching algorithm for trajectory surface hopping molecular dynamics in Newton-X package and benchmark performance on the Cis↔trans azobenzene photoisomerization
  Abstract  PDF