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Physical Chemistry Chemical Physics : PCCP
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September 16, 2015
Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations
Luigi Genovese, Thierry Deutsch
Physical Review Letters
|
June 13, 2002
A fourfold coordinated point defect in silicon
Stefan Goedecker, Thierry Deutsch, Luc Billard
The Journal of Chemical Physics
|
August 11, 2007
Efficient and accurate three-dimensional Poisson solver for surface problems
Luigi Genovese, Thierry Deutsch, Stefan Goedecker
The Journal of Chemical Physics
|
June 8, 2013
Accurate complex scaling of three dimensional numerical potentials
Alessandro Cerioni, Luigi Genovese, Ivan Duchemin, et al.
The Journal of Chemical Physics
|
June 22, 2015
Fragment approach to constrained density functional theory calculations using Daubechies wavelets
Laura E Ratcliff, Luigi Genovese, Stephan Mohr, et al.
The Journal of Chemical Physics
|
September 1, 2006
Efficient solution of Poisson's equation with free boundary conditions
Luigi Genovese, Thierry Deutsch, Alexey Neelov, et al.
The Journal of Chemical Physics
|
July 24, 2009
Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures
Luigi Genovese, Matthieu Ospici, Thierry Deutsch, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2010
Metallofullerenes as fuel cell electrocatalysts: a theoretical investigation of adsorbates on C59Pt
Margaret A Gabriel, Luigi Genovese, Guillaume Krosnicki, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2010
Assessment of noncollinear spin-flip Tamm-Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane
Miquel Huix-Rotllant, Bhaarathi Natarajan, Andrei Ipatov, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 12, 2015
Accurate and efficient linear scaling DFT calculations with universal applicability
Stephan Mohr, Laura E Ratcliff, Luigi Genovese, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
September 16, 2015
Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations
Luigi Genovese, Thierry Deutsch
Physical Review Letters
|
June 13, 2002
A fourfold coordinated point defect in silicon
Stefan Goedecker, Thierry Deutsch, Luc Billard
The Journal of Chemical Physics
|
August 11, 2007
Efficient and accurate three-dimensional Poisson solver for surface problems
Luigi Genovese, Thierry Deutsch, Stefan Goedecker
The Journal of Chemical Physics
|
June 8, 2013
Accurate complex scaling of three dimensional numerical potentials
Alessandro Cerioni, Luigi Genovese, Ivan Duchemin, et al.
The Journal of Chemical Physics
|
June 22, 2015
Fragment approach to constrained density functional theory calculations using Daubechies wavelets
Laura E Ratcliff, Luigi Genovese, Stephan Mohr, et al.
The Journal of Chemical Physics
|
September 1, 2006
Efficient solution of Poisson's equation with free boundary conditions
Luigi Genovese, Thierry Deutsch, Alexey Neelov, et al.
The Journal of Chemical Physics
|
July 24, 2009
Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures
Luigi Genovese, Matthieu Ospici, Thierry Deutsch, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2010
Metallofullerenes as fuel cell electrocatalysts: a theoretical investigation of adsorbates on C59Pt
Margaret A Gabriel, Luigi Genovese, Guillaume Krosnicki, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2010
Assessment of noncollinear spin-flip Tamm-Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane
Miquel Huix-Rotllant, Bhaarathi Natarajan, Andrei Ipatov, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 12, 2015
Accurate and efficient linear scaling DFT calculations with universal applicability
Stephan Mohr, Laura E Ratcliff, Luigi Genovese, et al.
Page
of 2