Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework. - Sergey V. Levchenko; Xinguo Ren; Jürgen Wieferink; Rainer Johanni; Patrick Rinke; Volker Blum; Matthias Scheffler (Comput. Phys. Commun., 2015)

Compact representation of one-particle wavefunctions and scalar fields obtained from electronic-structure calculations. - Sergey V. Levchenko; Matthias Scheffler (Comput. Phys. Commun., 2019)

Material hardness descriptor derived by symbolic regression. - Christian Tantardini; Hayk A. Zakaryan; Zhong-Kang Han; Tariq Altalhi; Sergey V. Levchenko; Alexander G. Kvashnin; Boris I. Yakobson (J. Comput. Sci., 2024)