Teoroo - Theoretical inorganic chemistry
We specialize in Computational materials chemistry
The focus of the research done in the Teoroo (Theoretical Inorganic Chemistry) group at Uppsala University is e-science for materials chemistry, i.e. molecules + materials + chemistry + computers + software. We develop multi-scale models and methods to bring simulations closer to the complex, large-scale dynamical problems of the real world, in fields such as catalysis, nano-chemistry, and hydration phenomena. The methods used in the group include –combinations of– ab initio and semi-emprical quantum-mechanical methods, advanced (reactive) force fields, MD simulations, and computational vibrational spectroscopy. We explore and explain physical and chemical phenomena involving metal-oxide surfaces and nano-particles, both under high vacuum and in more realistic environments, such as aqueous media. Water and aqueous solutions themselves are also of particular interest to the group.
- We currently have two PhD positions available. Deadlines in August! 2016-08-04
- Poster Prize: Multiscale Modelling of Materials and Molecules 2016 2016-06-13
- The eSSENCE of . . . COMPUTATIONAL CHEMISTRY & PHYSICS 2015-11-24
- Annual meeting of the Swedish Chemical Society Theoretical Chemistry Section 2015: Poster prize 2015-09-01
- ESSENCE 2015 MULTISCALE MATERIALS (AND MOLECULAR) MODELLING MEETING 2015-05-27
Ymol is a molecular visualisation and animation program.