Author:
Wang Yuxiang,Li Yang,Tang Zechen,Li He,Yuan Zilong,Tao Honggeng,Zou Nianlong,Bao Ting,Liang Xinghao,Chen Zezhou,Xu Shanghua,Bian Ce,Xu Zhiming,Wang Chong,Si Chen,Duan Wenhui,Xu Yong
Reference30 articles.
1. Electronic Structure: Basic Theory and Practical Methods;Martin,2004
2. Generalized neural-network representation of high-dimensional potential-energy surfaces;Behler;Phys Rev Lett,2007
3. Deep potential molecular dynamics: A scalable model with the accuracy of quantum mechanics;Zhang;Phys Rev Lett,2018
4. Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions;Schütt;Nat Commun,2019
5. Unke OT, Bogojeski M, Gastegger M, et al. SE(3)-equivariant prediction of molecular wavefunctions and electronic densities. In: Advances in Neural Information Processing Systems. Curran Associates Inc., 2021:14434.