Theoretical Chemistry

Lund University


At the division of Theoretical Chemistry we study both statistical thermodynamics 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 and dairy products!

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


New book: Multiconfigurational Quantum Chemistry

Multiconfigurational Quantum Chemistry provides a timely and in-depth overview of this modern methodology that enhances our understanding of atomic states and structures in molecular



Iron carbene complexes for solar energy applications

Expensive metals may be replaced in the production of solar cells.



Symposium "Swedish Theoretical Chemistry 2016" - Registration is open

"Lightening Bridges”, Lund University, Sweden, August 17-19, 2016.



On the cover: Lateral Interactions between Adsorbed Enzymes

Research presented on the cover of the Journal of Physical Chemistry B.




Sergey Samsonov: Theoretical Chemistry Seminar

From: 2016-10-03 14:15 To: 15:00


Giulio Tesei: Theoretical Chemistry Seminar

From: 2016-10-18 14:15 To: 15:00


Erik Hedegård: Theoretical Chemistry Seminar

From: 2016-10-25 14:15 To: 15:00


Francesco Manzoni: Theoretical Chemistry Seminar

From: 2016-11-08 14:15 To: 15:00


Kristin Hyltegren: Licentiate Defence

From: 2016-11-18 10:15 To: 12:00