Stefan Goedecker

According to our database, Stefan Goedecker authored at least 13 papers between 1994 and 2024.

Collaborative distances:

• Dijkstra number of three.
• Erdős number of four.

2024

Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE).

Marco Krummenacher, Moritz Gubler, Jonas A. Finkler, Hannes Huber, Martin Sommer-Jörgensen, Stefan Goedecker

SoftwareX, February, 2024

2023

Efficient variable cell shape geometry optimization.

Moritz Gubler, Marco Krummenacher, Hannes Huber, Stefan Goedecker

J. Comput. Phys. X, 2023

2021

An assessment of the structural resolution of various fingerprints commonly used in machine learning.

Behnam Parsaeifard, Deb Sankar De, Anders S. Christensen, Felix A. Faber, Emir Kocer, Sandip De, Jörg Behler, O. Anatole von Lilienfeld, Stefan Goedecker

Mach. Learn. Sci. Technol., 2021

New strontium titanate polymorphs under high pressure.

Ehsan Rahmatizad KhajePasha, Stefan Goedecker, S. Alireza Ghasemi

J. Comput. Chem., 2021

2013

A customized 3D GPU Poisson solver for free boundary conditions.

Nazim Dugan, Luigi Genovese, Stefan Goedecker

Comput. Phys. Commun., 2013

2012

Overlapping Computations with Communications and I/O Explicitly Using OpenMP Based Heterogeneous Threading Models.

Sadaf R. Alam, Gilles Fourestey, Brice Videau, Luigi Genovese, Stefan Goedecker, Nazim Dugan

Proceedings of the OpenMP in a Heterogeneous World - 8th International Workshop on OpenMP, 2012

2009

ABINIT: First-principles approach to material and nanosystem properties.

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

Comput. Phys. Commun., 2009

2006

An efficient numerical quadrature for the calculation of the potential energy of wavefunctions expressed in the Daubechies wavelet basis.

Alexey I. Neelov, Stefan Goedecker

J. Comput. Phys., 2006

2003

Linear scaling electronic structure methods in chemistry and physics.

Stefan Goedecker, Gustavo E. Scuseria

Comput. Sci. Eng., 2003

1997

Fast Radix 2, 3, 4, and 5 Kernels for Fast Fourier Transformations on Computers with Overlapping Multiply-Add Instructions.

Stefan Goedecker

SIAM J. Sci. Comput., 1997

1996

Electronic Structure of Materials using Self-Interaction Corrected Density Functional Theory.

Adolfy Hoisie, Stefan Goedecker, J. Hutter

Proceedings of the 1996 ACM/IEEE Conference on Supercomputing, 1996

1994

Remark on Algorithms to Find Roots of Polynomials.

Stefan Goedecker

SIAM J. Sci. Comput., 1994

Tight binding molecular dynamics.

Stefan Goedecker, Luciano Colombo

Proceedings of the Proceedings Supercomputing '94, 1994