Mikko Karttunen, Professor


Contact Information

Office: ChB 123
Tel: (519) 661-2111 x86335
E-mail: mkarttu@uwo.ca

Group Website 

Research Areas

Computational chemistry & biological physics

Research Interests

My research focuses on the properties of biological & soft matter using theory and the methods of computational chemistry and physics. Typical systems are at the interface between materials science, biology & biomedical sciences. I am interested in problems such as lipid diffusion, sterols, bacterial toxins, membrane proteins, antibiotics, translocation of DNA, peptides and sugars. I am also working on magnetic materials, pattern formation and non-equilibrium dynamics.

Movies and visualizations at our Flickr site.


    1. Getting excited: Challenges in quantum-classical studies of excitons in polymeric systems , Behnaz Bagheri, Bjoern Baumeier, and Mikko Karttunen, PCCP 28, 30297-30304 (2016). 
    2. Binding of disordered peptides to Kelch: Insights from enhanced sampling simulations , Trang Nhu Do, Wing-Yiu Choy and Mikko Karttunen, J. Chem. Theory Comput. 12, 395-404 (2016).
    3. Stable Porphyrin-Phospholipid Doped Liposomes Permeabilized by Near Infrared Light , K. Carter, S. Shao, Matthew I. Hoopes, W. Song, H. Huang, G. Zhang, B. Asan, R.K. Pandey, B.A Pfeifer, J. Ortega, Mikko Karttunen, J.F Lovell, Nature Communications 5, 3546 (2014).
    4. Classical Electrostatics for Biomolecular Simulations , Celeste Sagui, Andres G. Cisneros, Mikko Karttunen, Penguy Ren, Chemical Reviews 114, 779-814 (2014).
    5. Long-time correlations and hydrophobe modified hydrogen bonding dynamics in hydrophobic hydration , John T. Titantah and Mikko Karttunen, J. Am. Chem. Soc. 134, 9362-9368 (2012).

[Complete Publication Listing]


SC 9502: Scientific Computing


  • 2017: Canada Research Chair (Tier 1) in Computational Materials and Biomaterials Research
  • 2009: Natural Sciences & Engineering Research Council of Canada, Discovery Accelerator Award
  • 2009: Faculty of Science Distinguished Research Professor, U. Western Ontario, London
  • 2008: The Province of Ontario Early Researcher Award
  • 2007: DEISA EU High Performance Computing Award
  • 2004: Young Center of Excellence Award, Helsinki University of Technology

Professional Activities

  • Associate Editor: Journal of Biological Physics, Advances in Physics X
  • Review Editor: Frontiers in Molecular Biosciences
  • Associate Editor: PeerJ
  • Review panels:
    • Deutsche Forschungsgemeinschaft (DFG)
    • Natural Sciences and Engineering Research Council of Canada (NSERC)
    • NSERC, Research Tools and Instruments
    • Canadian Institutes of Health Research (CIHR)
  • Reviewer for: 
    • National Science Foundation (USA)
    • European Union
    • Academy of Finland
    • United States-Israel Binational Science Foundation
    • Austrian Academy of Science
    • Czech Academy of Sciences
    • Slovak Academy of Sciences
    • The Netherlands Organisation for Scientific Research (NWO)
    • National Fund for Scientific and Technological Development of Chile