Open Access

ARTICLE

The Algorithm of Chemical Species Analysis for Ab Intio Molecular Dynamics Simulations and Its Application

Zhiyi Han¹, Yugai Huang^2,3, Xiaoqiang Xie¹, Ying Mei¹, Bin Gu^1,*

1 Jiangsu Key Laboratory for Optoelectronic Detection of Atmosphere and Ocean, Nanjing University of Information Science and Technology, Nanjing, 210044, China.
2 Department of Chemistry, Jiangsu Second Normal University, Nanjing, 210013, China.
3 Queen’s University, Belfast, Northern Ireland, Belfast BT7 1NN, United Kingdom.

* Corresponding Author: Bin Gu. Email: .