Experts in: Theoretical chemistry
ERNZERHOF, Matthias
Professeur titulaire
- Theoretical chemistry
- Computational chemistry
- Electronic structure
- Molecular electronics
- Biomolecules
- Molecular imaging
- Surface chemistry
- Solids chemistry
- Solid state
- Nanostructures
Professor Ernzerhof and his group develop theories and computer programs based on quantum mechanics, to model chemical and physical properties of molecules, surfaces, solids and nanostructures.
IFTIMIE, Radu Ion
Professeur agrégé
- Theoretical chemistry
- Computer simulations
- Molecular dynamics
- Computational spectroscopy
- Reactions in aqueous solutions
Professor Iftimie and his group develop new computational methods and software that can be used to reliably probe little-known complex structures and reaction mechanisms in liquids and solids.