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What is the workshop about?Wavefunction methods, including multiconfigurational theory, are well-established techniques for electronic structure calculations of both ground and excited states in chemistry and molecular spectroscopy…

https://www.compchem.lu.se/article/wavefunction-methods-solid-state-matter-wfs-2025-2503-2803-2025-hotel-arkon-park-gdansk-poland- 2025-03-19

The Royal Physiographic Society of Lund has decided to award Nabanita Mandal endowments for the Natural Sciences, Medicine and Technology – Chemistry for a project on  “Unraveling Molecular Pathways of Toxic Aggregation in Amyloid Lateral…

https://www.compchem.lu.se/article/nabanita-mandal-and-gianluca-utzeri-has-been-awarded-research-grants-royal-physiographic-society- 2025-03-18

Chemical Physics Reviews from American Institute of Physics (AIP) Publishing, appointed Petter Persson, Associate Editor.Read more about the news on Chemical Physics Reviews Twitter/X @ChemPhysRev or AIP Publishing's website.

https://www.compchem.lu.se/article/chemical-physics-reviews-american-institute-physics-aip-publishing-appointed-petter-persson- 2025-03-19

Find publications in the research portalIn the Lund University Research Portal you can search for:Active researchers and doctoral students within our research areasResearch outputs, for example publicationsResearch projectsResearch…

https://www.compchem.lu.se/research/publications- 2025-01-29

Ulf RydeGrant: 600 000 SEK/ year, during 2 years.TitleDevelopment of methods to treat metal sites in ligand-binding calculationsAbstractCalculating accurate estimates for the binding affinity of small molecules (e.g. drug candidates) to a…

https://www.compchem.lu.se/article/ulf-ryde-and-valera-veryazov-received-grants-essence- 2025-03-19

TitleOptimised capacitive mixing and anomalous underscreening in salt solutionsAmount1.21MSEK PurposeEstablishment of postdoc scholarship

https://www.compchem.lu.se/article/jan-forsman-received-funds-olle-engkvists-stiftelse- 2025-03-19

The SciLifeLab research community is a dynamic, interdisciplinary network of scientists from various fields within molecular life sciences, united by the goal of addressing critical challenges in health, biodiversity, and sustainability…

https://www.compchem.lu.se/article/marie-skepo-has-been-appointed-scilifelab-group-leader- 2025-03-19

Current collaborational projects that the division of Computational Chemistry is involved in. Gdańsk-Lund Cluster: Quantum Development Potential, funded by NAWA Strategic PartnershipsThe project “Gdańsk-Lund Cluster: Quantum Development…

https://www.compchem.lu.se/research/collaborations- 2025-03-07

Physical Review B with DOI: https://doi.org/10.1103/PhysRevB.111.115103

https://www.compchem.lu.se/article/physical-review-b- 2025-03-20

Biochemical Society announcement of 2026 awardOur 2026 Inspiration and Resilience Award goes to Shina Caroline Lynn Kamerlin! Alongside outstanding research at the borders between chemistry, physics & biology, @lynnkamerlin.bsky.social…

https://www.compchem.lu.se/article/lynn-kamerlin-receives-biochemical-society-inspiration-and-resilience-award-2026-3- 2025-04-09

Photochemical reactions in which cobalt(II) complexes catalyze the hydrogen evolution reaction (HER) in aqueous solution has been studied by time-resolved spectroscopy and computational modeling. More information can be found in the…

https://www.compchem.lu.se/article/photocatalysis-research-cover-chemistry-european-journal- 2025-05-22

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…

https://www.compchem.lu.se/about- 2025-02-25

4 November 2025 14:15 to 15:00 | Seminar A Computational Chemistry half-time seminar by PhD David Ribar, Computational Chemistry, Lund University.Title: Could anomalous underscreening be driven by amorphous ion aggregation?Lecturehall KC:F…

https://www.compchem.lu.se/calendar/computational-chemistry-half-time-seminar-david-ribar- 2025-10-28

Bachelor’s coursesBelow links will open on Lund University’s website or Course website LTH.General Chemistry (KEMA20, 15 credits, information in Swedish)Molecular Driving Forces 1: Thermodynamics (KFKA05, 7.5 credits)Molecular Driving…

https://www.compchem.lu.se/education- 2025-01-13

The Royal Physiological Society in Lund has decided to award Oskar a scholarship of 50,000 SEK.Fund: Torsten och Karin Alméns stiftelseProject title: An integrative study of antimicrobial peptides and the intrinsically disordered protein…

https://www.compchem.lu.se/article/oskar-svensson-has-been-awarded-scholarship-royal-physiographic-society-lund- 2025-09-10

22nd Nordic Workshop on Scattering from Soft MatterWe are looking forward to welcoming you to the 22 th Nordic Workshop on Scattering from Soft Matter (NSSM-2026). Date: 13-15 January, 2026     Location: Kemicentrum, Naturvetarvägen 22,…

https://www.compchem.lu.se/nssm2026- 2025-10-09

Welcome to do your Degree project at Computational ChemistrySeveral experienced research group leaders can supervise your project, on master’s level or bachelor’s level You can click on the name of a supervisor in the list below, to get to…

https://www.compchem.lu.se/education/degree-projects- 2025-03-07

News report,TV4 News, 28 September 2025Solar energy stored in the form of fuel is something scientists hope could partially replace fossil fuels in the future. Researchers at Lund University in Sweden may have solved a long-standing…

https://www.compchem.lu.se/article/solar-fuel-conundrum-nears-solution-0- 2025-09-30

Addresses Visiting addressKemicentrumNaturvetarvägen 22, LundDelivery addressKemicentrumNaturvetarvägen 24, LundPostal addressLund University P.O. Box 124SE-221 00 Lund, SwedenInternal mailHämtställe 1 Directions Directions to the division…

https://www.compchem.lu.se/contact- 2025-01-15

15 January 2026 14:15 to 15:00 | Seminar A Computational Chemistry half-time seminar by PhD Alex-Ovidiu Mircea, Computational Chemistry, Lund University.Title: TBAWhen:15 January, 14:15-15:00When: Lecturehall KC:C  About the eventLocation…

https://www.compchem.lu.se/calendar/computational-chemistry-half-time-seminar-alex-ovidiu-mircea- 2025-10-24