At the division of Computational Chemistry we study statistical thermodynamics, suspension dynamics, and quantum chemistry. While we have a strong focus on fundamental research and model development, our methods have been applied on a diverse range of systems such as clay, cement, sea water, dental environments, wood fibers, sand and dairy products!

We also have a well equipped experimental lab for preparing protein samples and conducting physical chemistry measurements.



Linnea Lindh awarded the Oscar II Stipend for best PhD-thesis

Congratulations to Linnea Lindh for receiving the Oscar II Stipend in Natural Science at Lund University for her PhD-thesis "Photophysics and Photochemistry of Iron



Stiftelsen Markussens studiefond has decided to award Doctoral student Amanda Eriksson Skog, Computational Chemistry

Stiftelsen Markussens studiefond has decided to award Computational Chemistry´s Doctoral student Amanda Eriksson Skog.



Photosensitizer Simulations on the Cover

A computational investigation of a rhodium-based light-harvesting complex based on ab initio molecular dynamics



Coffee and Salt on the Cover

Our new study of caffeine appears on the cover of American Chemical Society's Journal of Physical