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Anders M N Niklasson

Showing results (1-10 of 62) with videos related to

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The Journal of Chemical Physics|August 10, 2017
Next generation extended Lagrangian first principles molecular dynamicsAnders M N Niklasson
The Journal of Chemical Physics|February 9, 2021
Extended Lagrangian Born-Oppenheimer molecular dynamics for orbital-free density-functional theory and polarizable charge equilibration modelsAnders M N Niklasson
Physical Review Letters|June 4, 2008
Extended Born-Oppenheimer molecular dynamicsAnders M N Niklasson
The Journal of Chemical Physics|March 16, 2020
Extended Lagrangian Born-Oppenheimer molecular dynamics using a Krylov subspace approximationAnders M N Niklasson
The Journal of Chemical Physics|January 7, 2009
A note on the Pulay force at finite electronic temperaturesAnders M N Niklasson
Journal of Chemical Theory and Computation|May 5, 2020
Density-Matrix Based Extended Lagrangian Born-Oppenheimer Molecular DynamicsAnders M N Niklasson
The Journal of Chemical Physics|February 12, 2015
First principles molecular dynamics without self-consistent field optimizationPetros Souvatzis, Anders M N Niklasson
The Journal of Chemical Physics|August 21, 2007
Linear scaling density matrix perturbation theory for basis-set-dependent quantum response calculations: an orthogonal formulationAnders M N Niklasson, Valéry Weber
Physical Review Letters|June 1, 2004
Density matrix perturbation theoryAnders M N Niklasson, Matt Challacombe
The Journal of Chemical Physics|December 11, 2013
Extended Lagrangian Born-Oppenheimer molecular dynamics in the limit of vanishing self-consistent field optimizationPetros Souvatzis, Anders M N Niklasson
Pageof 7

Showing results (1-10 of 62) with videos related to

Sort By:
Pageof 7
The Journal of Chemical Physics|August 10, 2017
Next generation extended Lagrangian first principles molecular dynamicsAnders M N Niklasson
The Journal of Chemical Physics|February 9, 2021
Extended Lagrangian Born-Oppenheimer molecular dynamics for orbital-free density-functional theory and polarizable charge equilibration modelsAnders M N Niklasson
Physical Review Letters|June 4, 2008
Extended Born-Oppenheimer molecular dynamicsAnders M N Niklasson
The Journal of Chemical Physics|March 16, 2020
Extended Lagrangian Born-Oppenheimer molecular dynamics using a Krylov subspace approximationAnders M N Niklasson
The Journal of Chemical Physics|January 7, 2009
A note on the Pulay force at finite electronic temperaturesAnders M N Niklasson
Journal of Chemical Theory and Computation|May 5, 2020
Density-Matrix Based Extended Lagrangian Born-Oppenheimer Molecular DynamicsAnders M N Niklasson
The Journal of Chemical Physics|February 12, 2015
First principles molecular dynamics without self-consistent field optimizationPetros Souvatzis, Anders M N Niklasson
The Journal of Chemical Physics|August 21, 2007
Linear scaling density matrix perturbation theory for basis-set-dependent quantum response calculations: an orthogonal formulationAnders M N Niklasson, Valéry Weber
Physical Review Letters|June 1, 2004
Density matrix perturbation theoryAnders M N Niklasson, Matt Challacombe
The Journal of Chemical Physics|December 11, 2013
Extended Lagrangian Born-Oppenheimer molecular dynamics in the limit of vanishing self-consistent field optimizationPetros Souvatzis, Anders M N Niklasson
Pageof 7