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Accounts of Chemical Research
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January 29, 2021
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer
Tsz 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 transfer
Tsz 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 conditions
Luigi 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 prediction
Sandro E Schönborn, Stefan Goedecker, Shantanu Roy, et al.
Nanotechnology
|
October 6, 2009
Adsorption of small NaCl clusters on surfaces of silicon nanostructures
Maximilian Amsler, S Alireza Ghasemi, Stefan Goedecker, et al.
Nanoscale Advances
|
June 1, 2026
Planar structures of medium-sized gold clusters become ground states upon ionization
Mohammad 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 Methods
Moritz 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 Equilibration
Moritz Gubler, Jonas A Finkler, Moritz R Schäfer, et al.
Physical Review Letters
|
June 28, 2011
Energy landscape of fullerene materials: a comparison of boron to boron nitride and carbon
Sandip De, Alexander Willand, Maximilian Amsler, et al.
Nanoscale Advances
|
May 21, 2026
The transformation mechanisms among cuboctahedra, Ino's decahedra and icosahedra structures of magic-size gold nanoclusters
Ehsan Rahmatizad Khajehpasha, Mohammad Ismaeil Safa, Nasrin Eyvazi, et al.
Page
of 8
Search research articles
Search
Showing results (31-40 of 79) with videos related to
Sort By:
Page
of 8
Accounts of Chemical Research
|
January 29, 2021
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer
Tsz 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 transfer
Tsz 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 conditions
Luigi 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 prediction
Sandro E Schönborn, Stefan Goedecker, Shantanu Roy, et al.
Nanotechnology
|
October 6, 2009
Adsorption of small NaCl clusters on surfaces of silicon nanostructures
Maximilian Amsler, S Alireza Ghasemi, Stefan Goedecker, et al.
Nanoscale Advances
|
June 1, 2026
Planar structures of medium-sized gold clusters become ground states upon ionization
Mohammad 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 Methods
Moritz 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 Equilibration
Moritz Gubler, Jonas A Finkler, Moritz R Schäfer, et al.
Physical Review Letters
|
June 28, 2011
Energy landscape of fullerene materials: a comparison of boron to boron nitride and carbon
Sandip De, Alexander Willand, Maximilian Amsler, et al.
Nanoscale Advances
|
May 21, 2026
The transformation mechanisms among cuboctahedra, Ino's decahedra and icosahedra structures of magic-size gold nanoclusters
Ehsan Rahmatizad Khajehpasha, Mohammad Ismaeil Safa, Nasrin Eyvazi, et al.
Page
of 8