Dr Michael Odelius

Affiliations:
Email: odelius@fysik.su.se
Phone: +46 8 5537 8713


Description

I am working with computer simulations of molecular dynamics and electronic spectra in complex systems based ab initio MD simulation, density functional theory and quantum chemistry. The combination of methods is necessary for the study of complex dynamical systems and their electronic structure.

In my research, I work in close collaboration with experimental groups employing x-ray spectroscopies and time-resolved spectroscopies. Ultra-fast time-resolved pump-probe experiments can be simulated to follow the electronic structure in chemical reaction on the time-scale of bond formation and bond breaking. Hydrogen bonding in aqueous solution and on metal and metaloxide surfaces are important for nearly all chemical reactions occuring in natural and industrial processes.

At the department of physics, I have lectured in the course on wave dynamics for teachers. I am presently responsible for the course on statistical physics with applications within the master programme in computational physics. I also share the responsibility for the course on quantum chemistry.

List of my publications.



Projects
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Theoretical studies of ultra-fast molecular dynamics and electronic structure in liquids and nano-crystalline solar cells.
01/01/2013 - 31/12/2016
Hur ska vi kunna producera tillräckligt med energi i framtiden? Hur bryts en kemisk bindning? Vad händer i vanligt vatten på en mikroskopisk nivå? En naiv förhoppning vore att kunna besvara alla dessa frågor med grundläggande teoretiska studi...

Theoretical studies of processes in nano-crystalline solar-cells based on ab initio molecular dynamics and spectrum simulations
01/01/2010 - 31/12/2012
In a continued close collaboration with spectroscopy experiments, I intend to use classical and ab initio molecular dynamics simulation, electronic structure calculations and spectrum simulations to reveal information on the different components of the dye-sensitised nano-crystal...

Ab initio molecular dynamics simulations. Electronic spectra in condensed phase and excited state dynamics.
01/01/2007 - 31/12/2009
We have shown in close collaboration with experimental groups that the x-ray absorption and emission spectra (XAS & XES) contain novel information on the structure of water and on excited-state dynamics. The results for the structure of water are controversial and questions...


Collaborating with


Last updated on 2017-16-06 at 11:14