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