Mikael Kuisma

Research

During his time in our group, Mikael’s research 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. He is currently a researcher at the Technical University of Danmark.

Education

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

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

Publications

• GPAW: open Python package for electronic-structure calculations Permalink
  J. J. Mortensen, A. H. Larsen, M. Kuisma, A. V. Ivanov, A. Taghizadeh, A. Peterson, A. Haldar, A. O. Dohn, C. Schäfer, E. Ö. Jónsson, E. D. Hermes, F. A. Nilsson, G. Kastlunger, G. Levi, H. Jónsson, H. Häkkinen, J. Fojt, J. Kangsabanik, J. Sødequist, J. Lehtomäki, J. Heske, J. Enkovaara, K. T. Winther, M. Dulak, M. M. Melander, M. Ovesen, M. Louhivuori, M. Walter, M. Gjerding, O. Lopez-Acevedo, P. Erhart, R. Warmbier, R. Würdemann, S. Kaappa, S. Latini, T. M. Boland, T. Bligaard, T. Skovhus, T. Susi, T. Maxson, T. P. Rossi, X. Chen, Y. L. A. Schmerwitz, J. Schiøtz, T. Olsen, K. W. Jacobsen, and K. S. Thygesen
  Journal of Chemical Physics 160, 092503 (2024)
• Ultrastrong Coupling of a Single Molecule to a Plasmonic Nanocavity: A First-Principles Study Permalink
  M. Kuisma, B. Rousseaux, K. M. Czajkowski, T. P. Rossi, T. Shegai, P. Erhart, and T. J. Antosiewicz
  ACS Photonics 9, 1065 (2022)
• Hot-carrier transfer across a nanoparticle-molecule junction: The importance of orbital hybridization and level alignment Permalink
  J. Fojt, T. P. Rossi, M. Kuisma, and P. Erhart
  Nano Letters 22, 8786 (2022)
• Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling Permalink
  J. Fojt, T. P. Rossi, T. J. Antosiewicz, M. Kuisma, and P. Erhart
  Journal of Chemical Physics 154, 094109 (2021)
• Hot-Carrier Generation in Plasmonic Nanoparticles: The Importance of Atomic Structure Permalink
  T. P. Rossi, P. Erhart, and M. Kuisma
  ACS Nano 14, 9963 (2020)
• Plasmon-Induced Direct Hot-Carrier Transfer at Metal-Acceptor Interfaces Permalink
  P. V. Kumar, T. P. Rossi, D. Marti-Dafcik, D. Reichmuth, M. Kuisma, P. Erhart, M. J. Puska, and D. J. Norris
  ACS Nano 13, 3188 (2019)
• Interlayer exciton dynamics in van der Waals heterostructures Permalink
  S. Ovesen, S. Brem, C. Linderälv, M. Kuisma, P. Erhart, M. Selig, and E. Malic
  Communications Physics 2, 23 (2019)
• Direct hot-carrier transfer in plasmonic catalysis Permalink
  P. V. Kumar, T. P. Rossi, M. Kuisma, P. Erhart, and D. J. Norris
  Faraday Discussions 214, 189 (2019)
• Electric-field-controlled reversible order-disorder switching of a metal tip surface Permalink
  L. de Knoop, M. J. Kuisma, J. Löfgren, K. Lodewijks, M. Thuvander, P. Erhart, A. Dmitriev, and E. Olsson
  Physical Review Materials 2, 085006 (2018)
• 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)