CEN: Improved charge equilibration via neural network technique
E.R. Khajehpasha, J.A. Finkler, T. Kühne, A. Ghasemi, Physical Review B 105 (2022).
LibreCat: /record/33680
DOI: 10.1103/physrevb.105.144106

Thermodynamically stable polymorphs of nitrogen-rich carbon nitrides: a N5 study
A. Ghasemi, H. Mirhosseini, T. Kühne, Phys. Chem. Chem. Phys. 23 (2021) 6422–6432.
LibreCat: /record/29700
DOI: 10.1039/D0CP06185A

Artificial neural networks for the kinetic energy functional of non-interacting fermions
A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).
LibreCat: /record/33648
DOI: 10.1063/5.0037319

An automated approach for developing neural network interatomic potentials with FLAME
H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021).
LibreCat: /record/33657
DOI: 10.1016/j.commatsci.2021.110567