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Physical Review Letters
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December 31, 2005
Bayesian error estimation in density-functional theory
J J Mortensen, K Kaasbjerg, S L Frederiksen, et al.
Journal of Chemical Theory and Computation
|
October 31, 2017
Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex
A O Dohn, E Ö Jónsson, G Levi, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 12, 2011
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J Enkovaara, C Rostgaard, J J Mortensen, et al.
The Journal of Chemical Physics
|
July 10, 2009
Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project
J S Hummelshøj, D D Landis, J Voss, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Physical Review Letters
|
December 31, 2005
Bayesian error estimation in density-functional theory
J J Mortensen, K Kaasbjerg, S L Frederiksen, et al.
Journal of Chemical Theory and Computation
|
October 31, 2017
Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex
A O Dohn, E Ö Jónsson, G Levi, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 12, 2011
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J Enkovaara, C Rostgaard, J J Mortensen, et al.
The Journal of Chemical Physics
|
July 10, 2009
Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project
J S Hummelshøj, D D Landis, J Voss, et al.
Page
of 1