Thomas Kjærgaard

Publication Activity (10 Years)

Years Active: 2013-2017
Publications (10 Years): 2

Top Topics

Perturbation Theory

Massively Parallel

Top Venues

J. Comput. Chem.

Comput. Phys. Commun.

Publications

Thomas Kjærgaard, Pablo Baudin, Dmytro Bykov, Janus Juul Eriksen, Patrick Ettenhuber, Kasper Kristensen, Jeff Larkin, Dmitry I. Liakh, Filip Pawlowski, Aaron Vose, Yang Min Wang, Poul Jørgensen
Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires. Comput. Phys. Commun. 212 (2017)
Dmytro Bykov, Thomas Kjærgaard
The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2). J. Comput. Chem. 38 (4) (2017)
Vladimir V. Rybkin, Anton O. Simakov, Vebjørn Bakken, Simen Reine, Thomas Kjærgaard, Trygve Helgaker, Einar Uggerud
Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale born-oppenheimer direct dynamics. J. Comput. Chem. 34 (7) (2013)
Patrick Merlot, Thomas Kjærgaard, Trygve Helgaker, Roland Lindh, Francesco Aquilante, Simen Reine, Thomas Bondo Pedersen
Attractive electron-electron interactions within robust local fitting approximations. J. Comput. Chem. 34 (17) (2013)