Attractive electron-electron interactions within robust local fitting approximations. - Patrick Merlot; Thomas Kjærgaard; Trygve Helgaker; Roland Lindh; Francesco Aquilante; Simen Reine; Thomas Bondo Pedersen (J. Comput. Chem., 2013)

Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale born-oppenheimer direct dynamics. - Vladimir V. Rybkin; Anton O. Simakov; Vebjørn Bakken; Simen Reine; Thomas Kjærgaard; Trygve Helgaker; Einar Uggerud (J. Comput. Chem., 2013)

Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires. - Thomas Kjærgaard; Pablo Baudin; Dmytro Bykov; Janus Juul Eriksen; Patrick Ettenhuber; Kasper Kristensen; Jeff Larkin; Dmitry I. Lyakh; Filip Pawlowski; Aaron Vose; Yang Min Wang; Poul Jørgensen (Comput. Phys. Commun., 2017)

The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2). - Dmytro Bykov; Thomas Kjærgaard (J. Comput. Chem., 2017)