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The Journal of Chemical Physics
|
July 25, 2016
Computationally efficient characterization of potential energy surfaces based on fingerprint distances
Bastian Schaefer, 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.
Materials Advances
|
April 7, 2023
Principles of isomer stability in small clusters
Giuseppe Fisicaro, Bastian Schaefer, Jonas A Finkler, et al.
Physical Review Letters
|
December 7, 2019
Finding Reaction Pathways with Optimal Atomic Index Mappings
Deb Sankar De, Marco Krummenacher, Bastian Schaefer, et al.
The Journal of Chemical Physics
|
January 24, 2015
Stabilized quasi-Newton optimization of noisy potential energy surfaces
Bastian Schaefer, S Alireza Ghasemi, Shantanu Roy, et al.
The Journal of Chemical Physics
|
December 11, 2013
Metrics for measuring distances in configuration spaces
Ali Sadeghi, S Alireza Ghasemi, Bastian Schaefer, et al.
ACS Nano
|
June 25, 2014
Isomerism and structural fluxionality in the Au26 and Au26(-) nanoclusters
Bastian Schaefer, Rhitankar Pal, Navneet S Khetrapal, et al.
The Journal of Chemical Physics
|
January 24, 2016
A fingerprint based metric for measuring similarities of crystalline structures
Li Zhu, Maximilian Amsler, Tobias Fuhrer, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
July 25, 2016
Computationally efficient characterization of potential energy surfaces based on fingerprint distances
Bastian Schaefer, 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.
Materials Advances
|
April 7, 2023
Principles of isomer stability in small clusters
Giuseppe Fisicaro, Bastian Schaefer, Jonas A Finkler, et al.
Physical Review Letters
|
December 7, 2019
Finding Reaction Pathways with Optimal Atomic Index Mappings
Deb Sankar De, Marco Krummenacher, Bastian Schaefer, et al.
The Journal of Chemical Physics
|
January 24, 2015
Stabilized quasi-Newton optimization of noisy potential energy surfaces
Bastian Schaefer, S Alireza Ghasemi, Shantanu Roy, et al.
The Journal of Chemical Physics
|
December 11, 2013
Metrics for measuring distances in configuration spaces
Ali Sadeghi, S Alireza Ghasemi, Bastian Schaefer, et al.
ACS Nano
|
June 25, 2014
Isomerism and structural fluxionality in the Au26 and Au26(-) nanoclusters
Bastian Schaefer, Rhitankar Pal, Navneet S Khetrapal, et al.
The Journal of Chemical Physics
|
January 24, 2016
A fingerprint based metric for measuring similarities of crystalline structures
Li Zhu, Maximilian Amsler, Tobias Fuhrer, et al.
Page
of 1