DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B). - Alexander Humeniuk; Roland Mitric (Comput. Phys. Commun., 2017)

A block Jacobi method for complex skew-symmetric matrices with applications in the time-dependent variational principle. - Alexander Humeniuk; Roland Mitric (Comput. Phys. Commun., 2018)

Efficient CPU and GPU implementations of multicenter integrals over long-range operators using Cartesian Gaussian functions. - Alexander Humeniuk; William J. Glover (Comput. Phys. Commun., 2022)