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Multiscale modelling


  • Theoretical Chemistry & Biology (Ph.D., KTH Royal Institute of Technology)

Current work

  • hybrid simulation approaches for optoelectronic responses of biomolecules
  • large-scale parallelization of quantum chemistry calculations
  • code development for VeloxChem
  • benchmark and optimization of scientific computing codes
  • support and training for PDC users

Can help PDC users with

  • general scientific computing problems
  • troubleshooting scientific software
  • parallelization of scientific computing codes

Previous research and work

  • multiscale modelling of optoelectronic and magnetic properties of organic functional materials
  • optimization of force field parameters for organic molecules and metal nanoparticles
  • ab initio exciton model for efficient and scalable simulations of multichromophoric systems