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.


Coming events

- Training workshop "Wavefunction methods for solid state matter"
Location: My Story Hotel, Gdynia, Poland, 5-8 December 2023



Clay – an ancient material with a great future

Clay is a material that has been used since ancient times for protecting, building and carrying things. If we learn more about how to change various properties of clays, such as through the



A new paper with a record breaking (*)number of co-authors is now available online. Read about new features of OpenMolcas - a leading program for electronic structure calculations.

We are proud to announce the publication of a new review article that showcases the latest features of OpenMolcas, an



More Swedish involvement in building the European Spallation Source

The European Spallation Source (ESS) is a European project to build the world’s most powerful neutron source in Lund.




Computational Chemistry/ Chemical Physics seminar

From: 2023-10-05 13:00 to 17:00


Public Defence: Linnea Lindh

From: 2023-10-06 09:00 to 12:00


LINXS Soft Matter Symposium Day for Young Researchers

From: 2023-10-06 09:00 to 16:30


Computational Chemistry seminar. Professor Gerald J. Meyer

From: 2023-10-09 13:15 to 14:00