lunduniversity.lu.se

 

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.

 

2023-05-26

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 advanced computational chemistry software developed by researchers in

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2023-01-31

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.

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2022-10-31

Multiscale Modelling of Atomistic Structure of Calcium Silicate Hydrate

Alexei I Abrikosov, Valera Veryazov, "Multiscale Modelling of Atomistic Structure of Calcium Silicate Hydrate" Solid

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Calendar

Seminarium

Computational Chemistry seminar: Kristoffer Lundgren

From: 2023-06-13 14:15 to 15:00

Seminarium

Computational Chemistry seminar: Marcos Verissimo Alves

From: 2023-06-20 14:15 to 15:00