Viktoria Ivanovskaya
| Name | Viktoria Ivanovskaya |
| Work Groups |
Work Group 4 - Theory |
| Laboratory | Institut des matériaux de Nantes (IMN) |
| Organisation | CNRS |
| Website | http://- |
| Areas of Research | quantum chemistry; computational materials science |
| Research Keywords | DFT; quantum chemical modelling ; non-equilibrium processes; defects; nanostructures; doping; catalysis; surface chemistry |
| Areas of Future Interest | searches for new materials with exceptional properties |
Brief CV
First principle studies on the basis of density functional theory of extended and complex systems. Large variety of studied objects (0D-, 1D-, hybrid-nanostructures, surfaces and bulk materials).
Understanding of macroscopic properties (mechanic., conduct., magnet.) of materials at the atomic scale. Stability, structural defects, doping of traditional materials (e.g. oxides, sulphides) and new nanostructures (nanotubes, nanowires).
Description of out-of-equilibrium processes: mechanical strain, thermal stability, surface reactivity.
Expertise in modern high performing computational methods (DFT, DFTB, MD, NEB) and codes.