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The Journal of Chemical Physics
|
February 2, 2011
Efficient moves for global geometry optimization methods and their application to binary systems
Michael Sicher, Stephan Mohr, Stefan Goedecker
Physical Review Letters
|
August 11, 2005
Global minimum determination of the Born-Oppenheimer surface within density functional theory
Stefan Goedecker, Waldemar Hellmann, Thomas Lenosky
Physical Review Letters
|
June 13, 2002
A fourfold coordinated point defect in silicon
Stefan Goedecker, Thierry Deutsch, Luc Billard
The Journal of Chemical Physics
|
August 11, 2007
Efficient and accurate three-dimensional Poisson solver for surface problems
Luigi Genovese, Thierry Deutsch, Stefan Goedecker
The Journal of Chemical Physics
|
November 8, 2022
Response to "Comment on 'Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions'" [J. Chem. Phys. 156, 034302 (2022)]
Behnam Parsaeifard, Marco Krummenacher, Stefan Goedecker
The Journal of Chemical Physics
|
December 18, 2007
A particle-particle, particle-density algorithm for the calculation of electrostatic interactions of particles with slablike geometry
S Alireza Ghasemi, Alexey Neelov, Stefan Goedecker
The Journal of Chemical Physics
|
July 21, 2007
Particle-particle, particle-scaling function algorithm for electrostatic problems in free boundary conditions
Alexey Neelov, S Alireza Ghasemi, Stefan Goedecker
Journal of Chemical Theory and Computation
|
June 13, 2025
Accelerating Variable Cell Shape Molecular Dynamics with a Position-Dependent Mass Matrix
Martin Sommer-Jörgensen, Marco Krummenacher, Stefan Goedecker
The Journal of Chemical Physics
|
June 9, 2014
Minima hopping guided path search: an efficient method for finding complex chemical reaction pathways
Bastian Schaefer, Stephan Mohr, Maximilian Amsler, et al.
Journal of Computational Chemistry
|
February 8, 2021
New strontium titanate polymorphs under high pressure
Ehsan Rahmatizad Khajehpasha, Stefan Goedecker, S Alireza Ghasemi
Page
of 8
Search research articles
Search
Showing results (11-20 of 79) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
February 2, 2011
Efficient moves for global geometry optimization methods and their application to binary systems
Michael Sicher, Stephan Mohr, Stefan Goedecker
Physical Review Letters
|
August 11, 2005
Global minimum determination of the Born-Oppenheimer surface within density functional theory
Stefan Goedecker, Waldemar Hellmann, Thomas Lenosky
Physical Review Letters
|
June 13, 2002
A fourfold coordinated point defect in silicon
Stefan Goedecker, Thierry Deutsch, Luc Billard
The Journal of Chemical Physics
|
August 11, 2007
Efficient and accurate three-dimensional Poisson solver for surface problems
Luigi Genovese, Thierry Deutsch, Stefan Goedecker
The Journal of Chemical Physics
|
November 8, 2022
Response to "Comment on 'Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions'" [J. Chem. Phys. 156, 034302 (2022)]
Behnam Parsaeifard, Marco Krummenacher, Stefan Goedecker
The Journal of Chemical Physics
|
December 18, 2007
A particle-particle, particle-density algorithm for the calculation of electrostatic interactions of particles with slablike geometry
S Alireza Ghasemi, Alexey Neelov, Stefan Goedecker
The Journal of Chemical Physics
|
July 21, 2007
Particle-particle, particle-scaling function algorithm for electrostatic problems in free boundary conditions
Alexey Neelov, S Alireza Ghasemi, Stefan Goedecker
Journal of Chemical Theory and Computation
|
June 13, 2025
Accelerating Variable Cell Shape Molecular Dynamics with a Position-Dependent Mass Matrix
Martin Sommer-Jörgensen, Marco Krummenacher, Stefan Goedecker
The Journal of Chemical Physics
|
June 9, 2014
Minima hopping guided path search: an efficient method for finding complex chemical reaction pathways
Bastian Schaefer, Stephan Mohr, Maximilian Amsler, et al.
Journal of Computational Chemistry
|
February 8, 2021
New strontium titanate polymorphs under high pressure
Ehsan Rahmatizad Khajehpasha, Stefan Goedecker, S Alireza Ghasemi
Page
of 8