Stefan Goedecker

14 papers A 2Journal 11Unranked 1
YearRankTypeTitle / Venue / Authors
2024 J jnl
Corrigendum to performing highly efficient minima hopping structure predictions using the Atomic Simulation Environment (ASE) [SoftwareX 25 (2024) 101632].
SoftwareX
Marco Krummenacher, Moritz Gubler, Jonas A. Finkler, Hannes Huber, Martin Sommer-Jörgensen, Stefan Goedecker
2024 J jnl
Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE).
SoftwareX
Marco Krummenacher, Moritz Gubler, Jonas A. Finkler, Hannes Huber, Martin Sommer-Jörgensen, Stefan Goedecker
2023 J jnl
Efficient variable cell shape geometry optimization.
J. Comput. Phys. X
Moritz Gubler, Marco Krummenacher, Hannes Huber, Stefan Goedecker
2021 J jnl
An assessment of the structural resolution of various fingerprints commonly used in machine learning.
Mach. Learn. Sci. Technol.
Behnam Parsaeifard, Deb Sankar De, Anders S. Christensen, Felix A. Faber, Emir Kocer, Sandip De, Jörg Behler, O. Anatole von Lilienfeld, Stefan Goedecker
2021 J jnl
New strontium titanate polymorphs under high pressure.
J. Comput. Chem.
Ehsan Rahmatizad KhajePasha, Stefan Goedecker, S. Alireza Ghasemi
2013 J jnl
A customized 3D GPU Poisson solver for free boundary conditions.
Comput. Phys. Commun.
Nazim Dugan, Luigi Genovese, Stefan Goedecker
2012 — conf
Overlapping Computations with Communications and I/O Explicitly Using OpenMP Based Heterogeneous Threading Models.
IWOMP
Sadaf R. Alam, Gilles Fourestey, Brice Videau, Luigi Genovese, Stefan Goedecker, Nazim Dugan
2009 J jnl
ABINIT: First-principles approach to material and nanosystem properties.
Comput. Phys. Commun.
Xavier Gonze, Bernard Amadon, Pierre-Matthieu Anglade, Jean-Michel Beuken, François Bottin, Paul Boulanger, Fabien Bruneval, Damien Caliste, Razvan Caracas, Michel Côté, Thierry Deutsch, Luigi Genovese, Philippe Ghosez, Matteo Giantomassi, Stefan Goedecker, Don R. Hamann, Patrick Hermet, François Jollet, Gerald Jomard, Stéphane Le Roux, Marco Mancini, Stephane Mazevet, Micael J. T. Oliveira, Giovanni Onida, Yann Pouillon, Tonatiuh Rangel, Gian-Marco Rignanese, Davide Sangalli, Riad Shaltaf, Marc Torrent, Matthieu J. Verstraete, Gilles Zérah, Joe W. Zwanziger
2006 J jnl
An efficient numerical quadrature for the calculation of the potential energy of wavefunctions expressed in the Daubechies wavelet basis.
J. Comput. Phys.
Alexey I. Neelov, Stefan Goedecker
2003 J jnl
Linear scaling electronic structure methods in chemistry and physics.
Comput. Sci. Eng.
Stefan Goedecker, Gustavo E. Scuseria
1997 J jnl
Fast Radix 2, 3, 4, and 5 Kernels for Fast Fourier Transformations on Computers with Overlapping Multiply-Add Instructions.
SIAM J. Sci. Comput.
Stefan Goedecker
1996 A conf
Electronic Structure of Materials using Self-Interaction Corrected Density Functional Theory.
SC
Adolfy Hoisie, Stefan Goedecker, J. Hutter
1994 J jnl
Remark on Algorithms to Find Roots of Polynomials.
SIAM J. Sci. Comput.
Stefan Goedecker
1994 A conf
Tight binding molecular dynamics.
SC
Stefan Goedecker, Luciano Colombo