Stefan Goedecker

According to our database1, Stefan Goedecker authored at least 11 papers between 1994 and 2021.

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Bibliography

2021
An assessment of the structural resolution of various fingerprints commonly used in machine learning.
Mach. Learn. Sci. Technol., 2021

New strontium titanate polymorphs under high pressure.
J. Comput. Chem., 2021

2013
A customized 3D GPU Poisson solver for free boundary conditions.
Comput. Phys. Commun., 2013

2012
Overlapping Computations with Communications and I/O Explicitly Using OpenMP Based Heterogeneous Threading Models.
Proceedings of the OpenMP in a Heterogeneous World - 8th International Workshop on OpenMP, 2012

2009
ABINIT: First-principles approach to material and nanosystem properties.
Comput. Phys. Commun., 2009

2006
An efficient numerical quadrature for the calculation of the potential energy of wavefunctions expressed in the Daubechies wavelet basis.
J. Comput. Phys., 2006

2003
Linear scaling electronic structure methods in chemistry and physics.
Comput. Sci. Eng., 2003

1997
Fast Radix 2, 3, 4, and 5 Kernels for Fast Fourier Transformations on Computers with Overlapping Multiply-Add Instructions.
SIAM J. Sci. Comput., 1997

1996
Electronic Structure of Materials using Self-Interaction Corrected Density Functional Theory.
Proceedings of the 1996 ACM/IEEE Conference on Supercomputing, 1996

1994
Remark on Algorithms to Find Roots of Polynomials.
SIAM J. Sci. Comput., 1994

Tight binding molecular dynamics.
Proceedings of the Proceedings Supercomputing '94, 1994


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