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Virtual Issue on Machine Learning for Computational Chemistry
Machine Learning is making a transformative impact on computational chemistry. This Virtual Special Issue, published in CJCP recently, is dedicated to highlight latest advances on the application of machine learning techniques, such as the neural networks and deep learning, in this field. This collection focuses on the topics including neural network method for PES construction, molecular property and structure prediction, quantum chemical methods improved with machine learning, etc.
ARTICLES
Haidi Wang; Tao Li; Yufan Yao; Xiaofeng Liu; Weiduo Zhu; Zhao Chen; Zhongjun Li; Wei Hu
ARTICLES
Fengyi Li; Xiaoxi Liu; Xingyu Yang; Jianwei Cao; Wensheng Bian
ARTICLES
Chao Han; Hao Wang; Jianbao Zhu; Qi Liu; Wenguang Zhu
ARTICLES
Qi Zhang; Tong Zhu
ARTICLES
Da-yong Wang; Hai-feng Lv; Xiao-jun Wu
ARTICLES
Siting Hou; Chaofan Li; Huixian Han; Changjian Xie
ARTICLES
Roaming dynamics of H+C2D2 reaction on fundamental-invariant neural network potential energy surface
Yuyao Bai; Yan-Lin Fu; Yong-Chang Han; Bina Fu; Dong H. Zhang
REVIEW
Jun Chen; Wei Zhuang
ARTICLES
Qixin Chen; Shanyu Han; Xixi Hu; Daiqian Xie