218 citations · 346 across the 4 of their papers we have counts for
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Density Functional Theory calculation on many-cores hybrid CPU-GPU architectures
Luigi Genovese, Matthieu Ospici, Thierry Deutsch +3
The implementation of a full electronic structure calculation code on a hybrid parallel architecture with Graphic Processing Units (GPU) is presented. The code which is on the basi…
Structural stability of the fullerene against defect formation
Kuo Bao, Stefan Goedecker, Luigi Genovese +3
Using a systematic search algorithm we identify several types of point defects in the boron fullerene with 80 atoms. All these point defect leave the cage structure intact. In addi…
Efficient and accurate three dimensional Poisson solver for surface problems
Luigi Genovese, Thierry Deutsch, Stefan Goedecker
We present a method that gives highly accurate electrostatic potentials for systems where we have periodic boundary conditions in two spatial directions but free boundary condition…
Efficient solution of Poisson's equation with free boundary conditions
Luigi Genovese, Thierry Deutsch, Alexey Neelov +2
Interpolating scaling functions give a faithful representation of a localized charge distribution by its values on a grid. For such charge distributions, using a Fast Fourier metho…