• Published

  Identifying Reaction Pathways and their Environments : Methods and Applications

  Publication: Research › Ph.d. thesis – Annual report year: 2012

• Published

  A method for finding the ridge between saddle points applied to rare event rate estimates

  Publication: Research - peer-review › Journal article – Annual report year: 2012

• Published

  Hindered rotational energy barriers of BH4- tetrahedra in β-Mg(BH4)2 from quasielastic neutron scattering and DFT calculations

  Publication: Research - peer-review › Journal article – Annual report year: 2012

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• Completed

  Computational methods for describing reaction rates at interfaces of energy materials

  Project: PhD

• Americn Chemical Society

  Local database

  Publisher

• Path finding techniques and their usage in experimental data augmentation

  Activity: Lecture and oral contribution

• Elastic Band for Finding Potential Energy Ridges and Second Order Saddle Points

  Activity: Lecture and oral contribution

• Elastic Band of Dimers for Locating Potential Energy Ridges and Second Order Saddle Points

  Activity: Lecture and oral contribution

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• The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter

  ISSNs: 1932-7447

  American Chemical Society, United States

  FI (2012): 1, ISI indexed (2012): yes

  Central database

  Journal

• Physical Chemistry Chemical Physics

  ISSNs: 1463-9076

  Royal Society of Chemistry, United Kingdom

  FI (2012): 2, ISI indexed (2012): yes

  Central database

  Journal