Thomas Kjærgaard

According to our database, Thomas Kjærgaard authored at least 4 papers between 2013 and 2017.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2017

The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2).

Dmytro Bykov, Thomas Kjærgaard

J. Comput. Chem., 2017

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

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

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