List of former PhDs

• 1. Johannes Voss, Ab initio lattice dynamics of complex structures, 2008
• 2. Qing Shi, Novel Complex Hydrides for Hydrogen Storage, 2009
• 3. Jens S. Hummelshøj, Computational investigation and design,2009
• 4. Nicolai C. Bork DFT, Modeling of oxide materials for hydrogen permeable membranes, 2010
• 5. Jan Kehres, Dynamical properties of nano-structured catalysts for methane conversion, 2011
• 6. Jon B. Maronsson, Computaional methods for describing reaction rates, 2008-2012
• 7. Steen Lysgaard, Computational analysis of the interaction of water with material, 2009-2012
• 8. Jon S. G. Myrdal, Computational screening of new carbon-neutral energy materials, 2009-2012
• 9. Jakob G. Howalt, Theorectical investigations of novel materials for nitrogen fixation, 2010-2013
• 10. Dadi Sveinbjönsson, In situ characterisation f structure and transport in battery, 2011-2013
• 11. Peter Bjerre Jensen, Computational design of new materials for ammonia storage, 2011-2014
• 12. Jonathan Højberg, Development of novel electrode-catalyst materials for Li-air battery, 2012-2014
• 13. Yedilfana S. Mekkonen, Computational analysis and design of new materials for Li-air, 2012-2015
• 14. Simon Loftager, Computational investigations of interfacial transport mechanisms and charge localization in positive-electrode materials, 2013-2016
• 15. Rune Christensen, Error mitigation in Computational Design of Energy Materials, 2013-2016
• 16. Arghya Bhowmik, Design of oxide electrocatalysts for efficient conversion of CO₂ into liquid fuels, 2014-2017
• 17. Mateusz Reda, Computational Studies of Non-Precious Catalysts for the Oxygen Reduction Reaction, 2015-2018
• 18. Nicolai Rask Mathiesen, Novel computational methods for studying charge transport in metal-air batteries, 2015-2019
• 19. Tiantian Wu, Computational Studies of the Water Splitting Reaction on Ceria-based Catalyst, 2016-2019
• 20. Alexander Sougaard Tygesen, Systematic Computational Studies of Battery Electrode Materials, 2017-2020