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Physical Chemistry Chemical Physics : PCCP
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July 26, 2011
Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations
Micael J T Oliveira, Silvana Botti, Miguel A L Marques
Journal of Chemical Theory and Computation
|
November 20, 2015
Benchmarking the AK13 Exchange Functional: Ionization Potentials and Electron Affinities
Tiago F T Cerqueira, Micael J T Oliveira, Miguel A L Marques
Journal of Nanoscience and Nanotechnology
|
December 5, 2008
On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructures
Micael J T Oliveira, Alberto Castro, Miguel A L Marques, et al.
The Journal of Chemical Physics
|
December 9, 2009
Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory
Micael J T Oliveira, Fernando Nogueira, Miguel A L Marques, et al.
The Journal of Chemical Physics
|
December 3, 2008
The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures
Alberto Castro, Miguel A L Marques, Aldo H Romero, et al.
Journal of Chemical Theory and Computation
|
February 20, 2016
Computational Benchmarking for Ultrafast Electron Dynamics: Wave Function Methods vs Density Functional Theory
Micael J T Oliveira, Benoit Mignolet, Tomasz Kus, et al.
Journal of Computational Chemistry
|
November 20, 2013
A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations
Pablo García-Risueño, Joseba Alberdi-Rodriguez, Micael J T Oliveira, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 8, 2015
Insights into colour-tuning of chlorophyll optical response in green plants
Joaquim Jornet-Somoza, Joseba Alberdi-Rodriguez, Bruce F Milne, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
May 8, 2012
Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project
Xavier Andrade, Joseba Alberdi-Rodriguez, David A Strubbe, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 28, 2015
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David Strubbe, Umberto De Giovannini, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
July 26, 2011
Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations
Micael J T Oliveira, Silvana Botti, Miguel A L Marques
Journal of Chemical Theory and Computation
|
November 20, 2015
Benchmarking the AK13 Exchange Functional: Ionization Potentials and Electron Affinities
Tiago F T Cerqueira, Micael J T Oliveira, Miguel A L Marques
Journal of Nanoscience and Nanotechnology
|
December 5, 2008
On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructures
Micael J T Oliveira, Alberto Castro, Miguel A L Marques, et al.
The Journal of Chemical Physics
|
December 9, 2009
Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory
Micael J T Oliveira, Fernando Nogueira, Miguel A L Marques, et al.
The Journal of Chemical Physics
|
December 3, 2008
The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures
Alberto Castro, Miguel A L Marques, Aldo H Romero, et al.
Journal of Chemical Theory and Computation
|
February 20, 2016
Computational Benchmarking for Ultrafast Electron Dynamics: Wave Function Methods vs Density Functional Theory
Micael J T Oliveira, Benoit Mignolet, Tomasz Kus, et al.
Journal of Computational Chemistry
|
November 20, 2013
A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations
Pablo García-Risueño, Joseba Alberdi-Rodriguez, Micael J T Oliveira, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 8, 2015
Insights into colour-tuning of chlorophyll optical response in green plants
Joaquim Jornet-Somoza, Joseba Alberdi-Rodriguez, Bruce F Milne, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
May 8, 2012
Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project
Xavier Andrade, Joseba Alberdi-Rodriguez, David A Strubbe, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 28, 2015
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David Strubbe, Umberto De Giovannini, et al.
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of 2