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The Journal of Chemical Physics
|
November 3, 2025
A charge-density machine-learning workflow for computing the infrared spectrum of molecules
S Hazra, U Patil, S Sanvito
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
February 6, 2013
Time-dependent electron transport through a strongly correlated quantum dot: multiple-probe open-boundary conditions approach
A Pertsova, M Stamenova, S Sanvito
The Journal of Chemical Physics
|
October 2, 2012
Assessment of density functional theory for iron(II) molecules across the spin-crossover transition
A Droghetti, D Alfè, S Sanvito
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 15, 2011
The search for a spin crossover transition in small sized π-conjugated molecules: a Monte Carlo study
S Bhattacharya, M S Ferreira, S Sanvito
Physical Review Letters
|
October 26, 2005
Self-interaction errors in density-functional calculations of electronic transport
C Toher, A Filippetti, S Sanvito, et al.
Nanoscale
|
April 30, 2016
Current-induced changes of migration energy barriers in graphene and carbon nanotubes
J T Obodo, I Rungger, S Sanvito, et al.
Nanoscale
|
November 4, 2015
The image charge effect and vibron-assisted processes in Coulomb blockade transport: a first principles approach
A M Souza, I Rungger, U Schwingenschlögl, et al.
The Journal of Physical Chemistry Letters
|
June 17, 2017
Theoretical Evaluation of [V<sup>IV</sup>(α-C<sub>3</sub>S<sub>5</sub>)<sub>3</sub>]<sup>2-</sup> as Nuclear-Spin-Sensitive Single-Molecule Spin Transistor
S Cardona-Serra, A Gaita-Ariño, M Stamenova, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 11, 2011
Electronic transport calculations for rough interfaces in Al, Cu, Ag, and Au
M M Fadlallah, C Schuster, U Schwingenschlögl, et al.
Nanotechnology
|
October 12, 2010
Computational modeling of a carbon nanotube-based DNA nanosensor
R Kalantari-Nejad, M Bahrami, H Rafii-Tabar, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 29) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
November 3, 2025
A charge-density machine-learning workflow for computing the infrared spectrum of molecules
S Hazra, U Patil, S Sanvito
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
February 6, 2013
Time-dependent electron transport through a strongly correlated quantum dot: multiple-probe open-boundary conditions approach
A Pertsova, M Stamenova, S Sanvito
The Journal of Chemical Physics
|
October 2, 2012
Assessment of density functional theory for iron(II) molecules across the spin-crossover transition
A Droghetti, D Alfè, S Sanvito
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 15, 2011
The search for a spin crossover transition in small sized π-conjugated molecules: a Monte Carlo study
S Bhattacharya, M S Ferreira, S Sanvito
Physical Review Letters
|
October 26, 2005
Self-interaction errors in density-functional calculations of electronic transport
C Toher, A Filippetti, S Sanvito, et al.
Nanoscale
|
April 30, 2016
Current-induced changes of migration energy barriers in graphene and carbon nanotubes
J T Obodo, I Rungger, S Sanvito, et al.
Nanoscale
|
November 4, 2015
The image charge effect and vibron-assisted processes in Coulomb blockade transport: a first principles approach
A M Souza, I Rungger, U Schwingenschlögl, et al.
The Journal of Physical Chemistry Letters
|
June 17, 2017
Theoretical Evaluation of [V<sup>IV</sup>(α-C<sub>3</sub>S<sub>5</sub>)<sub>3</sub>]<sup>2-</sup> as Nuclear-Spin-Sensitive Single-Molecule Spin Transistor
S Cardona-Serra, A Gaita-Ariño, M Stamenova, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 11, 2011
Electronic transport calculations for rough interfaces in Al, Cu, Ag, and Au
M M Fadlallah, C Schuster, U Schwingenschlögl, et al.
Nanotechnology
|
October 12, 2010
Computational modeling of a carbon nanotube-based DNA nanosensor
R Kalantari-Nejad, M Bahrami, H Rafii-Tabar, et al.
Page
of 3