Stefan Goedecker

Publication Activity (10 Years)

Years Active: 1994-2024
Publications (10 Years): 5

Top Topics

Highly Efficient

Geometrical Constraints

Simulation Tools

Top Venues

Mach. Learn. Sci. Technol.

J. Comput. Chem.

J. Comput. Phys. X

Publications

Marco Krummenacher, Moritz Gubler, Jonas A. Finkler, Hannes Huber, Martin Sommer-Jörgensen, Stefan Goedecker
Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE). SoftwareX 25 (2024)
Marco Krummenacher, Moritz Gubler, Jonas A. Finkler, Hannes Huber, Martin Sommer-Jörgensen, Stefan Goedecker
Corrigendum to performing highly efficient minima hopping structure predictions using the Atomic Simulation Environment (ASE) [SoftwareX 25 (2024) 101632]. SoftwareX 26 (2024)
Moritz Gubler, Marco Krummenacher, Hannes Huber, Stefan Goedecker
Efficient variable cell shape geometry optimization. J. Comput. Phys. X 17 (2023)
Ehsan Rahmatizad KhajePasha, Stefan Goedecker, S. Alireza Ghasemi
New strontium titanate polymorphs under high pressure. J. Comput. Chem. 42 (10) (2021)
Behnam Parsaeifard, Deb Sankar De, Anders S. Christensen, Felix A. Faber, Emir Kocer, Sandip De, Jörg Behler, O. Anatole von Lilienfeld, Stefan Goedecker
An assessment of the structural resolution of various fingerprints commonly used in machine learning. Mach. Learn. Sci. Technol. 2 (1) (2021)
Nazim Dugan, Luigi Genovese, Stefan Goedecker
A customized 3D GPU Poisson solver for free boundary conditions. Comput. Phys. Commun. 184 (8) (2013)
Sadaf R. Alam, Gilles Fourestey, Brice Videau, Luigi Genovese, Stefan Goedecker, Nazim Dugan
Overlapping Computations with Communications and I/O Explicitly Using OpenMP Based Heterogeneous Threading Models. IWOMP (2012)
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
ABINIT: First-principles approach to material and nanosystem properties. Comput. Phys. Commun. 180 (12) (2009)
Alexey I. Neelov, Stefan Goedecker
An efficient numerical quadrature for the calculation of the potential energy of wavefunctions expressed in the Daubechies wavelet basis. J. Comput. Phys. 217 (2) (2006)
Stefan Goedecker, Gustavo E. Scuseria
Linear scaling electronic structure methods in chemistry and physics. Comput. Sci. Eng. 5 (4) (2003)
Stefan Goedecker
Fast Radix 2, 3, 4, and 5 Kernels for Fast Fourier Transformations on Computers with Overlapping Multiply-Add Instructions. SIAM J. Sci. Comput. 18 (6) (1997)
Adolfy Hoisie, Stefan Goedecker, J. Hutter
Electronic Structure of Materials using Self-Interaction Corrected Density Functional Theory. SC (1996)
Stefan Goedecker, Luciano Colombo
Tight binding molecular dynamics. SC (1994)
Stefan Goedecker
Remark on Algorithms to Find Roots of Polynomials. SIAM J. Sci. Comput. 15 (5) (1994)