Mikael Kuisma

Research

Mikael’s research during his stay in our research group included method development for

• time dependent density functional theory (TD-DFT) calculations and
• the van-der-Waals density functional (vdW-DF) method

but also applications e.g., in the area of

• molecular solar thermal storage (MOST) systems and
• plasmonic nanoparticles.

In 2016 Mikael moved to the University of Jyväskylä on a post-doctoral fellowship from the Finnish Academy of Science.

Education

• 2014: Ph.D., Tampere University of Technology, Tampere, Finland
  Approaches to Light-Matter Interaction and Surface Phenomena within Density Functional Theory

• 2009: M.Sc., Tampere University of Technology, Tampere, Finland
  Electronics structure theory beyond ground state: computational approaches

Publications

• libvdwxc: A library for exchange-correlation functionals in the vdW-DF family Permalink
  A. H. Larsen, M. Kuisma, J. Löfgren, Y. Pouillon, P. Erhart, and P. Hyldgaard
  Modelling and Simulation in Materials Science and Engineering 25, 27140 (2017)
• Kohn-Sham decomposition in real-time time-dependent density-functional theory: An efficient tool for analyzing plasmonic excitations Permalink
  T. P. Rossi, M. Kuisma, M. J. Puska, R. M. Nieminen, and P. Erhart
  Journal of Chemical Theory and Computation 13, 4779 (2017)
• Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations Permalink
  M. J. Kuisma, A. M. Lundin, K. Moth-Poulsen, P. Hyldgaard, and P. Erhart
  ChemSusChem 9, 1786 (2016)
• Low Molecular Weight Norbornadiene Derivatives for Molecular Solar-Thermal Energy Storage Permalink
  M. Quant, A. Lennartson, A. Dreos, M. Kuisma, P. Erhart, K. Börjesson, and K. Moth-Poulsen
  Chemistry - A European Journal 22, 13265 (2016)
• A Comparative Ab-Initio Study of Substituted Norbornadiene-Quadricyclane Compounds for Solar Thermal Storage Permalink
  M. J. Kuisma, A. M. Lundin, K. Moth-Poulsen, P. Hyldgaard, and P. Erhart
  The Journal of Physical Chemistry C 120, 3635 (2016)