Main Research Area: Integrated computational and experimental design and characterization of novel materials for energy storage and conversion:

• Density functional theory (DFT) based design of new materials for energy storage from model structures, predictors and genetic algorithms  
• Molecular, ionic, defect and electronic transport in energy materials from integrated ab initio rate calculations and in situ scattering techniques
• Electrode and electrolyte materials for Li-air, Li-ion and metal hydride batteries
• Materials for electrochemical production and storage of ammonia
• Materials for hydrogen storage, membranes and electrolytes
• Nanoparticle (electro)catalysts for sustainable production of synthetic fuels
• Database and multiscale techniques for computational materials design

Publications Overview: see Research ID A-9419-2011 (H-Index 22, pr 01-05-2013)

Main Research Projects:

• New Materials for Ammonia Storage (National Advanced Technology Foundation, 2011-2014)
• ReLiable: Reversible Lithium-Air Batteries (Danish Council for Strategic Research – Programme Commission for Sustainable Energy and the Environment, 2012-2015)
• CASE: Catalysis for Sustainable Energy (Danish Ministry of Science, Technology and Innovation, 2009-2014)
• SMARTCat: Systematic, Material-oriented Approach using Rational design to develop break-Through Catalysts for automotive PEMFC (FP7 JTI FCH-JU, 2013-2017)
• Hi-C: Novel in situ and in operando techniques; improving rechargeable batteries and super-capacitors (FP7-Energy, 2013-2017)