Atomic Scale Modeling and Simulation for Micro, Nano and BioNano Technologies


Our research is focused on the development and application of multi-scale computational methods, dedicated to physical and chemical problems in material science and biology.
  • Our challenge is to propose a predictive modeling dedicated to fill in the gaps in experiments and to guide and control technological process at the atomic scale.
  • We use simulation techniques to provide a very detailed description of molecular systems required by atomically precise technologies. Our goal is to promote multi-scale modeling approach towards engineer tools applied to micronanobiotechnologies and molecular systems.
Our current research mainly focuses on the following axis:
  • Ultra-thin oxides
  • Energetic materials
  • DNA Technologies
  • Bio and bio-hybrid molecules
We develop new models to elucidate the basic mechanisms of nanotechnology processes based on: 
  • Density Functional Theory-based calculations to unravel molecular chemistry
  • Kinetic Monte Carlo models for large scale simulation with atomic precision of technological processes
  • Specific tools to describe biomolecules and their interactions

Please visit our "Research Topics" page to learn more about our activities.