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Goedecker

Showing results (41-50 of 95) with videos related to

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Journal of Chemical Theory and Computation|June 8, 2023
Accurate Fourth-Generation Machine Learning Potentials by Electrostatic EmbeddingTsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
The Journal of Chemical Physics|January 10, 2016
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environmentsG Fisicaro, L Genovese, O Andreussi, et al.
Accounts of Chemical Research|January 29, 2021
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge TransferTsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
Nature Communications|January 16, 2021
A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transferTsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
The Journal of Chemical Physics|September 1, 2006
Efficient solution of Poisson's equation with free boundary conditionsLuigi Genovese, Thierry Deutsch, Alexey Neelov, et al.
The Journal of Chemical Physics|April 17, 2009
The performance of minima hopping and evolutionary algorithms for cluster structure predictionSandro E Schönborn, Stefan Goedecker, Shantanu Roy, et al.
Nanotechnology|October 6, 2009
Adsorption of small NaCl clusters on surfaces of silicon nanostructuresMaximilian Amsler, S Alireza Ghasemi, Stefan Goedecker, et al.
Nanoscale Advances|June 1, 2026
Planar structures of medium-sized gold clusters become ground states upon ionizationMohammad Ismaeil Safa, Ehsan Rahmatizad Khajehpasha, Jonas A Finkler, et al.
The Journal of Physical Chemistry. A|January 27, 2025
Noise-Tolerant Force Calculations in Density Functional Theory: A Surface Integral Approach for Wavelet-Based MethodsMoritz Gubler, Jonas A Finkler, Stig Rune Jensen, et al.
Journal of Chemical Theory and Computation|August 16, 2024
Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge EquilibrationMoritz Gubler, Jonas A Finkler, Moritz R Schäfer, et al.
Pageof 10

Showing results (41-50 of 95) with videos related to

Sort By:
Pageof 10
Journal of Chemical Theory and Computation|June 8, 2023
Accurate Fourth-Generation Machine Learning Potentials by Electrostatic EmbeddingTsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
The Journal of Chemical Physics|January 10, 2016
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environmentsG Fisicaro, L Genovese, O Andreussi, et al.
Accounts of Chemical Research|January 29, 2021
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge TransferTsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
Nature Communications|January 16, 2021
A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transferTsz Wai Ko, Jonas A Finkler, Stefan Goedecker, et al.
The Journal of Chemical Physics|September 1, 2006
Efficient solution of Poisson's equation with free boundary conditionsLuigi Genovese, Thierry Deutsch, Alexey Neelov, et al.
The Journal of Chemical Physics|April 17, 2009
The performance of minima hopping and evolutionary algorithms for cluster structure predictionSandro E Schönborn, Stefan Goedecker, Shantanu Roy, et al.
Nanotechnology|October 6, 2009
Adsorption of small NaCl clusters on surfaces of silicon nanostructuresMaximilian Amsler, S Alireza Ghasemi, Stefan Goedecker, et al.
Nanoscale Advances|June 1, 2026
Planar structures of medium-sized gold clusters become ground states upon ionizationMohammad Ismaeil Safa, Ehsan Rahmatizad Khajehpasha, Jonas A Finkler, et al.
The Journal of Physical Chemistry. A|January 27, 2025
Noise-Tolerant Force Calculations in Density Functional Theory: A Surface Integral Approach for Wavelet-Based MethodsMoritz Gubler, Jonas A Finkler, Stig Rune Jensen, et al.
Journal of Chemical Theory and Computation|August 16, 2024
Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge EquilibrationMoritz Gubler, Jonas A Finkler, Moritz R Schäfer, et al.
Pageof 10