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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.

 

2023-12-08

Photosensitizer Simulations on the Cover

A computational investigation of a rhodium-based light-harvesting complex based on ab initio molecular dynamics simulations carried out by members of the Computational

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2023-12-07

Coffee and Salt on the Cover

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

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2023-11-24

The Royal Physiographic Society of Lund has decided to award PhD Amanda Eriksson Skog and Postdoc Henrik Vinther Sørensen, Computational Chemistry

Congratulations Amanda Eriksson Skog and Henrik Vinther Sørensen to your awards from The Royal Physiographic Society of

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2023-11-08

Lesser Known Protein-Protein Interactions - Mikael Lund

An online lecture by Mikael Lund about lesser-known protein-protein interactions is available. The talk was given as

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Calendar

Seminarium

Computational Chemistry seminar: Isabel Vinterbladh

From: 2024-03-19 14:15 to 15:00

Seminarium

Computational Chemistry seminar: David Ribar

From: 2024-04-09 14:15 to 15:00

Seminarium

Computational Chemistry seminar: Marcos Verissimo Alves

From: 2024-04-23 14:15 to 15:00

Seminarium

Computational Chemistry seminar: Alex-Ovidiu Mircea

From: 2024-05-07 14:15 to 15:00

Seminarium

Computational Chemistry seminar: Simon Liedtke

From: 2024-05-14 10:15 to 11:00