Per-Olof Åstrand - Molecular modelling
My research is focused on developing mechanistic models to describe
molecules, intermolecular interactions, and molecular condensed matter.
The methods range from molecular quantum mechanics (quantum chemistry)
and force fields to statistical mechanics (molecular dynamics
and Monte Carlo simulations). Current research activities include:
- Electrical breakdown in dielectric liquids (Ph.D. student Nazanin Davari; with SINTEF Energy and ABB Corporate Research)
- Heterogeneous catalysis on carbon surfaces (Ph.D. student Mehdi Mahmoodinia; with Dept. Chem. Eng. NTNU)
- Force field model for optical rotation (Ph.D. student Shokouh Haghdani)
- Modeling of piezoelectric materials (Ph.D. student Daniel Lisø; with Dept. Mater. Sci. Eng. NTNU)
- Methane reduction of metal oxides (Ph.D. student Kristin Skjelbred; with SINTEF Mater. Chem.)
- Liquid polarization by temperature gradients (Prof. II Fernando Bresme, postdoc Chris Daub; with Dept. Electr. Telecommun. NTNU)