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News and events

2023-12-08

A computational investigation of a rhodium-based light-harvesting complex based on ab initio molecular dynamics simulations carried out by members of the Computational Chemistry Division is highlighted on the...[more]


2023-12-07

Our new study of caffeine appears on the cover of American Chemical Society's Journal of Physical Chemistry. Hofmeister laid out the foundation of ion-specific effects, but the underlying physical mechanisms have...[more]


2023-11-24

Congratulations Amanda Eriksson Skog and Henrik Vinther Sørensen to your awards from The Royal Physiographic Society of Lund. Endowments for the Natural Sciences, Medicine and Technology – Chemistry Amanda Eriksson Skogs fund...[more]


2023-11-08

An online lecture by Mikael Lund about lesser-known protein-protein interactions is available. The talk was given as part of the LINXS Antibodies in Solution Webinar Series. A central aspect of the series is to illustrate the...[more]


2023-06-07

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 addition of certain molecules or salts,...[more]


2023-05-26

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 the division of computational chemistry...[more]


2023-01-31

The European Spallation Source (ESS) is a European project to build the world’s most powerful neutron source in Lund. The NMX Macromolecular Diffractometer is the only instrument at ESS dedicated to structural biology – an area...[more]


2022-11-21

Ultrafast laser spectroscopy uncovers mechanisms of light energy conversion in photosynthesis and sustainable energy materials Donatas Zigmantas, Tomas Polivka, Petter Persson, and Villy Sundström Chem. Phys. Rev. 3, 041303...[more]


2022-10-31

Alexei I Abrikosov, Valera Veryazov, "Multiscale Modelling of Atomistic Structure of Calcium Silicate Hydrate" Solid State Phenomena 338, 123-128, 2022. https://www.scientific.net/SSP.338.123[more]


2022-09-05

Link: https://www.trex-coe.eu/news/trex-qmc-workshop-spotlight[more]


2022-04-12

Marie Skepö has been elected to fellow in the Royal Physiographic Society in Lund on 6 April 2022. The Royal Physiographic Society of Lund, www.fysiografen.se/en/ has for a number of years also used the...[more]


2022-04-11

Mathematical challenges in computational chemistry: multiscale, multiconfigurational approaches, machine learning (22w2262) Organizers Sergey Gusarov (National Research Council Canada) Alexander Kobryn (National...[more]


2022-04-07

Anion–cation contrast of small molecule solvation in salt solutions Stefan Hervø-Hansen, Jan Heyda, Mikael Lund and Nobuyuki Matubayasi  The contributions from anions and cations from salt are inseparable in their...[more]


2022-03-02

Thermodynamically Favourable States in the Reaction of Nitrogenase without Dissociation of any Sulfide Ligand. By Hao Jiang and Ulf Ryde. Research Article: doi.org/10.1002/chem.202103933[more]


2022-02-16

För tio år sedan upptäckte forskare i Lund tecken på att en av fysikens mest fundamentala lagar, Coulombs lag, inte verkade solid i vatten. I experiment såg det ut som att två laddningar av samma tecken attraherade varandra. Men...[more]


2022-02-03

Linnea Lindh et al have published a new study of dye-sensitized solar cells with iron-based dyes that includes a combination of novel synthesis, spectroscopic investigations, and computational characterization. The results show...[more]


2022-01-25

New article published in Journal of Physical Chemistry B, January 2022: Self-Diffusive Properties of the Intrinsically Disordered Protein Histatin 5 and the Impact of Crowding Thereon: A Combined Neutron Spectroscopy...[more]


2021-01-20

The project has been awarded 7 850 000 SEK in funding from the VR Grant for Accessibility to Infrastructure and an additional 1 000 000 SEK from Tillväxtverket. The project is a collaboration between Prof. Ulf...[more]


2021-01-15

A particle physicist involved in popular education and who made a number of global discoveries in her research portfolio and an experimental professor who has developed theoretical models in the area straddling chemistry and...[more]


2020-05-05

We are happy to inform that Octav Caldararu have been granted a scholarship from Oscar II Stipendium. Octav Caldararu doctoral thesis has been evaluated as the best within its faculty in the University.  [more]


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