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Goedecker

Showing results (31-40 of 95) with videos related to

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The Journal of Chemical Physics|December 9, 2020
Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compressionBehnam Parsaeifard, Daniele Tomerini, Deb Sankar De, et al.
The Journal of Chemical Physics|March 3, 2025
Accuracy of charge densities in electronic structure calculationsMoritz Gubler, Moritz R Schäfer, Jörg Behler, et al.
The Journal of Physical Chemistry. B|April 28, 2009
A minima hopping study of all-atom protein folding and structure predictionShantanu Roy, Stefan Goedecker, Martin J Field, et al.
Physical Chemistry Chemical Physics : PCCP|July 16, 2019
Surface reconstructions and premelting of the (100) CaF<sub>2</sub> surfaceSomayeh Faraji, S Alireza Ghasemi, Behnam Parsaeifard, et al.
Materials Advances|April 7, 2023
Principles of isomer stability in small clustersGiuseppe Fisicaro, Bastian Schaefer, Jonas A Finkler, et al.
Physical Review Letters|December 7, 2019
Finding Reaction Pathways with Optimal Atomic Index MappingsDeb Sankar De, Marco Krummenacher, Bastian Schaefer, et al.
The Journal of Chemical Physics|January 24, 2015
Stabilized quasi-Newton optimization of noisy potential energy surfacesBastian Schaefer, S Alireza Ghasemi, Shantanu Roy, et al.
Proceedings. Biological Sciences|June 17, 2025
Vocal communication is seasonal in social groups of wild, free-living house miceNicholas Jourjine, Caspar Goedecker, Barbara König, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|September 23, 2011
Density functional investigations on structural and electronic properties of anionic and neutral sodium clusters Na(N) (N = 40-147): comparison with the experimental photoelectron spectraSeyed Mohammad Ghazi, Sandip De, D G Kanhere, et al.
Physical Review Letters|October 15, 2013
Conducting boron sheets formed by the reconstruction of the α-boron (111) surfaceMaximilian Amsler, Silvana Botti, Miguel A L Marques, et al.
Pageof 10

Showing results (31-40 of 95) with videos related to

Sort By:
Pageof 10
The Journal of Chemical Physics|December 9, 2020
Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compressionBehnam Parsaeifard, Daniele Tomerini, Deb Sankar De, et al.
The Journal of Chemical Physics|March 3, 2025
Accuracy of charge densities in electronic structure calculationsMoritz Gubler, Moritz R Schäfer, Jörg Behler, et al.
The Journal of Physical Chemistry. B|April 28, 2009
A minima hopping study of all-atom protein folding and structure predictionShantanu Roy, Stefan Goedecker, Martin J Field, et al.
Physical Chemistry Chemical Physics : PCCP|July 16, 2019
Surface reconstructions and premelting of the (100) CaF<sub>2</sub> surfaceSomayeh Faraji, S Alireza Ghasemi, Behnam Parsaeifard, et al.
Materials Advances|April 7, 2023
Principles of isomer stability in small clustersGiuseppe Fisicaro, Bastian Schaefer, Jonas A Finkler, et al.
Physical Review Letters|December 7, 2019
Finding Reaction Pathways with Optimal Atomic Index MappingsDeb Sankar De, Marco Krummenacher, Bastian Schaefer, et al.
The Journal of Chemical Physics|January 24, 2015
Stabilized quasi-Newton optimization of noisy potential energy surfacesBastian Schaefer, S Alireza Ghasemi, Shantanu Roy, et al.
Proceedings. Biological Sciences|June 17, 2025
Vocal communication is seasonal in social groups of wild, free-living house miceNicholas Jourjine, Caspar Goedecker, Barbara König, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|September 23, 2011
Density functional investigations on structural and electronic properties of anionic and neutral sodium clusters Na(N) (N = 40-147): comparison with the experimental photoelectron spectraSeyed Mohammad Ghazi, Sandip De, D G Kanhere, et al.
Physical Review Letters|October 15, 2013
Conducting boron sheets formed by the reconstruction of the α-boron (111) surfaceMaximilian Amsler, Silvana Botti, Miguel A L Marques, et al.
Pageof 10