构建高精度团簇势能面

[1]Yafu Guan^#, Shuo Yang^#and Dong H. Zhang. Application of ClusteringAlgorithms to Partitioning Configuration Space in Fitting Reactive Potential Energy Surfaces.J. Phys. Chem. A,2018,122, 3140-3147.

[2]Yafu Guan, Shuo Yang and Dong H. Zhang. Construction of reactive potentialenergy surfaces with Gaussian process regression: active data selection.Mol. Phys.,2018,116:7-8, 823-834.

[3] Bingbing Zhang^#,Shuo Yang^#, Qian-Rui Huang^#,Shukang Jiang,Rongjun Chen,Xueming Yang,Dong H. Zhang,Zhaojun Zhang, Jer-Lai KuoandLing Jiang.DeconstructingVibrational Motionson thePotential Energy Surfaces ofHydrogen-Bonded Complexes.CCS Chem. 2020, 2, 829–835.