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Stefan Goedecker

Showing results (1-10 of 79) with videos related to

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The Journal of Chemical Physics|July 23, 2004
Minima hopping: an efficient search method for the global minimum of the potential energy surface of complex molecular systemsStefan Goedecker
The Journal of Chemical Physics|December 22, 2010
Crystal structure prediction using the minima hopping methodMaximilian Amsler, Stefan Goedecker
The Journal of Chemical Physics|January 23, 2022
Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactionsBehnam Parsaeifard, Stefan Goedecker
The Journal of Chemical Physics|July 25, 2016
Computationally efficient characterization of potential energy surfaces based on fingerprint distancesBastian Schaefer, Stefan Goedecker
Materials Advances|January 23, 2023
Experimental absence of the non-perovskite ground state phases of MaPbI<sub>3</sub> explained by a Funnel Hopping Monte Carlo study based on a neural network potentialJonas A Finkler, Stefan Goedecker
The Journal of Chemical Physics|May 3, 2020
Funnel hopping Monte Carlo: An efficient method to overcome broken ergodicityJonas A Finkler, Stefan Goedecker
The Journal of Chemical Physics|February 13, 2024
COMPASS: Double-ended saddle point search as a constrained optimization problemMartin Sommer-Jörgensen, Stefan Goedecker
The Journal of Chemical Physics|July 13, 2011
An enhanced splined saddle methodS Alireza Ghasemi, Stefan Goedecker
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|July 23, 2008
Bell-Evans-Polanyi principle for molecular dynamics trajectories and its implications for global optimizationShantanu Roy, Stefan Goedecker, Vladimir Hellmann
Scientific Reports|August 10, 2017
Metastable exohedrally decorated Borospherene B<sub>40</sub>Santanu Saha, Luigi Genovese, Stefan Goedecker
Pageof 8

Showing results (1-10 of 79) with videos related to

Sort By:
Pageof 8
The Journal of Chemical Physics|July 23, 2004
Minima hopping: an efficient search method for the global minimum of the potential energy surface of complex molecular systemsStefan Goedecker
The Journal of Chemical Physics|December 22, 2010
Crystal structure prediction using the minima hopping methodMaximilian Amsler, Stefan Goedecker
The Journal of Chemical Physics|January 23, 2022
Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactionsBehnam Parsaeifard, Stefan Goedecker
The Journal of Chemical Physics|July 25, 2016
Computationally efficient characterization of potential energy surfaces based on fingerprint distancesBastian Schaefer, Stefan Goedecker
Materials Advances|January 23, 2023
Experimental absence of the non-perovskite ground state phases of MaPbI<sub>3</sub> explained by a Funnel Hopping Monte Carlo study based on a neural network potentialJonas A Finkler, Stefan Goedecker
The Journal of Chemical Physics|May 3, 2020
Funnel hopping Monte Carlo: An efficient method to overcome broken ergodicityJonas A Finkler, Stefan Goedecker
The Journal of Chemical Physics|February 13, 2024
COMPASS: Double-ended saddle point search as a constrained optimization problemMartin Sommer-Jörgensen, Stefan Goedecker
The Journal of Chemical Physics|July 13, 2011
An enhanced splined saddle methodS Alireza Ghasemi, Stefan Goedecker
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|July 23, 2008
Bell-Evans-Polanyi principle for molecular dynamics trajectories and its implications for global optimizationShantanu Roy, Stefan Goedecker, Vladimir Hellmann
Scientific Reports|August 10, 2017
Metastable exohedrally decorated Borospherene B<sub>40</sub>Santanu Saha, Luigi Genovese, Stefan Goedecker
Pageof 8