358 citations · 2.5k across the 53 of their papers we have counts for
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The energy landscape of silicon systems and its description by force fields, tight binding schemes, density functional methods and Quantum Monte Carlo methods
S. Alireza Ghasemi, Maximilian Amsler, Richard G. Hennig +7
The accuracy of the energy landscape of silicon systems obtained from various density functional methods, a tight binding scheme and force fields is studied. Quantum Monte Carlo re…
Ab initio calculation of the binding energy of impurities in semiconductors: Application to Si nanowires
Y. M. Niquet, L. Genovese, C. Delerue +1
We discuss the binding energy E_b of impurities in semiconductors within density functional theory (DFT) and the GW approximation, focusing on donors in nanowires as an example. We…
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…