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Antti-Pekka Hynninen

Scientist: Computational Biochemistry

Dr. Antti-Pekka Hynninen's work in the Computational Science Center is focused on scientific programming and scientific modeling. His specialties include Molecular Dynamics codes, Monte Carlo simulations, and coarse-graining. He has expertise in multiple programming languages, including C/C++, Fortran, CUDA, x86 Assembler, Matlab, and Mathematica.

Currently, Dr. Hynninen works on parallelization and optimization of the CHARMM Molecular Dynamics program. Prior to joining the Computational Science Center, he worked in NREL's National Bioenergy Center on coarse-graining of cellulose fibrils. Before NREL, Dr. Hynninen worked at Princeton University as a post-doc.


  • 2005 Ph.D., Utrecht University, Utrecht, The Netherlands

  • 2001 M.Sc., Aalto University, Espoo, Finland.

Selected Publications 

  1. Hynninen, A.-P.; Matthews, J.F.; Beckham, G.T.; Crowley, M.F.; Nimlos, M.R. (2011). "Coarse-grain Model for Glucose, Cellobiose, and Cellotetraose in Water." J. Chem. Theory and Comp. (7:7); pp. 2137-2150.
  2. Hynninen, A.-P.; Panagiotopoulos A.Z. (2007). "Disappearance of the Gas-liquid Phase Transition for Highly Charged Colloids." Phys. Rev. Lett. (98:19); p. 198301.
  3. Hynninen, A.-P.; Thijssen, J.H.J.; Vermolen, E.C.M.; Dijkstra, M.; van Blaaderen, A. (2005). "Self-assembly Route for Photonic Crystals with a Bandgap in the Visible Region." Nature Materials (6:3); pp. 202-205.