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The Journal of Chemical Physics
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August 14, 2009
All-electron density functional theory and time-dependent density functional theory with high-order finite elements
Lauri Lehtovaara, Ville Havu, Martti Puska
The Journal of Chemical Physics
|
October 28, 2011
All-electron time-dependent density functional theory with finite elements: time-propagation approach
Lauri Lehtovaara, Ville Havu, Martti Puska
The Journal of Chemical Physics
|
April 17, 2012
Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method
Ari Ojanperä, Ville Havu, Lauri Lehtovaara, et al.
ACS Applied Materials & Interfaces
|
March 4, 2022
Protective Coating Interfaces for Perovskite Solar Cell Materials: A First-Principles Study
Azimatu Fangnon, Marc Dvorak, Ville Havu, et al.
The Journal of Chemical Physics
|
July 11, 2024
Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms
Sebastian Kokott, Florian Merz, Yi Yao, et al.
ACS Applied Materials & Interfaces
|
December 29, 2018
Alkali Postdeposition Treatment-Induced Changes of the Chemical and Electronic Structure of Cu(In,Ga)Se<sub>2</sub> Thin-Film Solar Cell Absorbers: A First-Principle Perspective
Maria Malitckaya, Thomas Kunze, Hannu-Pekka Komsa, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
August 14, 2009
All-electron density functional theory and time-dependent density functional theory with high-order finite elements
Lauri Lehtovaara, Ville Havu, Martti Puska
The Journal of Chemical Physics
|
October 28, 2011
All-electron time-dependent density functional theory with finite elements: time-propagation approach
Lauri Lehtovaara, Ville Havu, Martti Puska
The Journal of Chemical Physics
|
April 17, 2012
Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method
Ari Ojanperä, Ville Havu, Lauri Lehtovaara, et al.
ACS Applied Materials & Interfaces
|
March 4, 2022
Protective Coating Interfaces for Perovskite Solar Cell Materials: A First-Principles Study
Azimatu Fangnon, Marc Dvorak, Ville Havu, et al.
The Journal of Chemical Physics
|
July 11, 2024
Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms
Sebastian Kokott, Florian Merz, Yi Yao, et al.
ACS Applied Materials & Interfaces
|
December 29, 2018
Alkali Postdeposition Treatment-Induced Changes of the Chemical and Electronic Structure of Cu(In,Ga)Se<sub>2</sub> Thin-Film Solar Cell Absorbers: A First-Principle Perspective
Maria Malitckaya, Thomas Kunze, Hannu-Pekka Komsa, et al.
Page
of 1