Luigi Genovese
Luigi Genovese
CEA / IRIG / MEM / L_Sim, F-38000 Grenoble, France
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Cited by
ABINIT: First-principles approach to material and nanosystem properties
X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ...
Computer Physics Communications 180 (12), 2582-2615, 2009
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
Recent developments in the ABINIT software package
X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ...
Computer Physics Communications 205, 106-131, 2016
Daubechies wavelets as a basis set for density functional pseudopotential calculations
L Genovese, A Neelov, S Goedecker, T Deutsch, SA Ghasemi, A Willand, ...
The Journal of chemical physics 129 (1), 2008
Efficient solution of Poisson’s equation with free boundary conditions
L Genovese, T Deutsch, A Neelov, S Goedecker, G Beylkin
The Journal of chemical physics 125 (7), 2006
Energy landscape of fullerene materials: A comparison of boron to boron nitride and carbon
S De, A Willand, M Amsler, P Pochet, L Genovese
Phys. Rev. Lett 106, 225502, 2011
Accurate and efficient linear scaling DFT calculations with universal applicability
S Mohr, LE Ratcliff, L Genovese, D Caliste, P Boulanger, S Goedecker, ...
Physical Chemistry Chemical Physics 17 (47), 31360-31370, 2015
Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures
L Genovese, M Ospici, T Deutsch, JF Méhaut, A Neelov, S Goedecker
The Journal of chemical physics 131 (3), 2009
Challenges in large scale quantum mechanical calculations
LE Ratcliff, S Mohr, G Huhs, T Deutsch, M Masella, L Genovese
Wiley Interdisciplinary Reviews: Computational Molecular Science 7 (1), e1290, 2017
Efficient and accurate three-dimensional Poisson solver for surface problems
L Genovese, T Deutsch, S Goedecker
The Journal of chemical physics 127 (5), 2007
Daubechies wavelets for linear scaling density functional theory
S Mohr, LE Ratcliff, P Boulanger, L Genovese, D Caliste, T Deutsch, ...
The Journal of chemical physics 140 (20), 2014
Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations
A Willand, YO Kvashnin, L Genovese, Á Vázquez-Mayagoitia, AK Deb, ...
The Journal of chemical physics 138 (10), 2013
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments
G Fisicaro, L Genovese, O Andreussi, N Marzari, S Goedecker
The Journal of chemical physics 144 (1), 2016
Optimized energy landscape exploration using the ab initio based activation-relaxation technique
E Machado-Charry, LK Béland, D Caliste, L Genovese, T Deutsch, ...
The Journal of chemical physics 135 (3), 2011
Daubechies wavelets for high performance electronic structure calculations: The BigDFT project
L Genovese, B Videau, M Ospici, T Deutsch, S Goedecker, JF Méhaut
Comptes rendus. Mécanique 339 (2-3), 149-164, 2011
Soft-sphere continuum solvation in electronic-structure calculations
G Fisicaro, L Genovese, O Andreussi, S Mandal, NN Nair, N Marzari, ...
Journal of chemical theory and computation 13 (8), 3829-3845, 2017
Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations
LE Ratcliff, W Dawson, G Fisicaro, D Caliste, S Mohr, A Degomme, ...
The Journal of chemical physics 152 (19), 2020
X-ray magnetic circular dichroism measurements in Ni up to 200 GPa: resistant ferromagnetism
R Torchio, YO Kvashnin, S Pascarelli, O Mathon, C Marini, L Genovese, ...
Physical Review Letters 107 (23), 237202, 2011
Discovery of SARS-CoV-2 M pro peptide inhibitors from modelling substrate and ligand binding
HTH Chan, MA Moesser, RK Walters, TR Malla, RM Twidale, T John, ...
Chemical science 12 (41), 13686-13703, 2021
Structural metastability of endohedral silicon fullerenes
A Willand, M Gramzow, S Alireza Ghasemi, L Genovese, T Deutsch, ...
Physical Review B—Condensed Matter and Materials Physics 81 (20), 201405, 2010
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