Stefan Goedecker
Stefan Goedecker
University of Basel, Switzerland
Verified email at - Homepage
Cited by
Cited by
Separable dual-space Gaussian pseudopotentials
S Goedecker, M Teter, J Hutter
Physical Review B 54 (3), 1703, 1996
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
C Hartwigsen, S Gœdecker, J Hutter
Physical Review B 58 (7), 3641, 1998
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
Linear scaling electronic structure methods
S Goedecker
Reviews of Modern Physics 71 (4), 1085, 1999
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
Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems
S Goedecker
The Journal of chemical physics 120 (21), 9911-9917, 2004
Efficient linear scaling algorithm for tight-binding molecular dynamics
S Goedecker, L Colombo
Physical review letters 73 (1), 122, 1994
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), 014109, 2008
Crystal structure of cold compressed graphite
M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ...
Physical review letters 108 (6), 065501, 2012
Crystal structure prediction using the minima hopping method
M Amsler, S Goedecker
The Journal of chemical physics 133 (22), 224104, 2010
Natural orbital functional for the many-electron problem
S Goedecker, CJ Umrigar
Physical review letters 81 (4), 866, 1998
Fast Radix 2, 3, 4, and 5 Kernels for Fast Fourier Transformations on Computers with Overlapping Multiply--Add Instructions
S Goedecker
SIAM Journal on Scientific Computing 18 (6), 1605-1611, 1997
Tight-binding electronic-structure calculations and tight-binding molecular dynamics with localized orbitals
S Goedecker, M Teter
Physical Review B 51 (15), 9455, 1995
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), 074105, 2006
Critical assessment of the self-interaction-corrected–local-density-functional method and its algorithmic implementation
S Goedecker, CJ Umrigar
Physical Review A 55 (3), 1765, 1997
Performance optimization of numerically intensive codes
S Goedecker, A Hoisie
Society for Industrial and Applied Mathematics, 2001
Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network
SA Ghasemi, A Hofstetter, S Saha, S Goedecker
Physical review B 92 (4), 045131, 2015
A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer
TW Ko, JA Finkler, S Goedecker, J Behler
Nature communications 12 (1), 398, 2021
Energy landscape of fullerene materials: a comparison of boron to boron nitride and carbon
S De, A Willand, M Amsler, P Pochet, L Genovese, S Goedecker
Physical review letters 106 (22), 225502, 2011
Global minimum determination of the Born-Oppenheimer surface within density functional theory
S Goedecker, W Hellmann, T Lenosky
Physical review letters 95 (5), 055501, 2005
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