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Marko Melander

Showing results (1-10 of 7) with videos related to

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Journal of Chemical Theory and Computation|November 19, 2015
Removing External Degrees of Freedom from Transition-State Search Methods using QuaternionsMarko Melander, Kari Laasonen, Hannes Jónsson
The Journal of Chemical Physics|November 5, 2013
CO dissociation on iron nanoparticles: size and geometry effectsMarko Melander, Ville Latsa, Kari Laasonen
Physical Chemistry Chemical Physics : PCCP|February 18, 2015
CO oxidation catalyzed by neutral and anionic Cu20 clusters: relationship between charge and activityLi Ma, Marko Melander, Kari Laasonen, et al.
Journal of Molecular Graphics & Modelling|March 2, 2016
DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalystsLi Ma, Marko Melander, Timo Weckman, et al.
Journal of Chemical Theory and Computation|October 18, 2016
Implementation of Constrained DFT for Computing Charge Transfer Rates within the Projector Augmented Wave MethodMarko Melander, Elvar Ö Jónsson, Jens J Mortensen, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|April 24, 2019
CLEASE: a versatile and user-friendly implementation of cluster expansion methodJin Hyun Chang, David Kleiven, Marko Melander, et al.
The Journal of Physical Chemistry Letters|January 6, 2021
Revealing Charge-Transfer Dynamics at Electrified Sulfur Cathodes Using Constrained Density Functional TheoryYierpan Aierken, Ankit Agrawal, Meiling Sun, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|November 19, 2015
Removing External Degrees of Freedom from Transition-State Search Methods using QuaternionsMarko Melander, Kari Laasonen, Hannes Jónsson
The Journal of Chemical Physics|November 5, 2013
CO dissociation on iron nanoparticles: size and geometry effectsMarko Melander, Ville Latsa, Kari Laasonen
Physical Chemistry Chemical Physics : PCCP|February 18, 2015
CO oxidation catalyzed by neutral and anionic Cu20 clusters: relationship between charge and activityLi Ma, Marko Melander, Kari Laasonen, et al.
Journal of Molecular Graphics & Modelling|March 2, 2016
DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalystsLi Ma, Marko Melander, Timo Weckman, et al.
Journal of Chemical Theory and Computation|October 18, 2016
Implementation of Constrained DFT for Computing Charge Transfer Rates within the Projector Augmented Wave MethodMarko Melander, Elvar Ö Jónsson, Jens J Mortensen, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|April 24, 2019
CLEASE: a versatile and user-friendly implementation of cluster expansion methodJin Hyun Chang, David Kleiven, Marko Melander, et al.
The Journal of Physical Chemistry Letters|January 6, 2021
Revealing Charge-Transfer Dynamics at Electrified Sulfur Cathodes Using Constrained Density Functional TheoryYierpan Aierken, Ankit Agrawal, Meiling Sun, et al.
Pageof 1