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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. However, these methods have been seldom applied in the context of solid-state systems due to their computationally intensive nature and the requirement for additional

https://www.compchem.lu.se/article/wavefunction-methods-solid-state-matter-wfs-2025-2503-2803-2025-hotel-arkon-park-gdansk-poland - 2026-05-27

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 Sclerosis” (100 kSEK).The Royal Physiographic Society of Lund has decided to award Gianluca Utzeri endowments for the Natural Sciences, Medicine and Technology -

https://www.compchem.lu.se/article/nabanita-mandal-and-gianluca-utzeri-has-been-awarded-research-grants-royal-physiographic-society - 2026-05-27

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 - 2026-05-27

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 infrastructuresResearch unitsThe Division’s profile in Lund University’s Research Portal

https://www.compchem.lu.se/research/publications - 2026-05-27

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 macromolecular receptor is one of the most important challenges of computational chemistry. The most promising approach is free-energy perturbation (FEP), which

https://www.compchem.lu.se/article/ulf-ryde-and-valera-veryazov-received-grants-essence - 2026-05-27

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 - 2026-05-27

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. With a unique mandate to promote biology-, technology-, and data-driven excellence in life sciences, SciLifeLab fosters collaboration and innovation, driving brea

https://www.compchem.lu.se/article/marie-skepo-has-been-appointed-scilifelab-group-leader - 2026-05-27

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 Potential” is of strategic importance for the Faculty of Mathematics, Physics, and Informatics. It is built around three scientific components, two of which are ba

https://www.compchem.lu.se/research/collaborations - 2026-05-27

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

https://www.compchem.lu.se/article/physical-review-b - 2026-05-27

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 advocacy for science policy and gender issues establishes her as a role model for young scientists. More information about Lynn Kamerlin and the Biochemical Society

https://www.compchem.lu.se/article/lynn-kamerlin-receives-biochemical-society-inspiration-and-resilience-award-2026-3 - 2026-05-27

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 Research Article by P. Persson, J. Lloret-Fillol, B. Dietzek-Ivanšić, E. Nordlander and co-workers (DOI: 10.1002/chem.202582801). Cover illustration created by Iria Bo

https://www.compchem.lu.se/article/photocatalysis-research-cover-chemistry-european-journal - 2026-05-27

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

https://www.compchem.lu.se/about - 2026-05-27

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 Forces 2: Interactions and Dynamics (KFKF01, 7.5 credits)Master’s coursesBelow links will open on Lund University’s website.Computational Science: Modelling in Compu

https://www.compchem.lu.se/education - 2026-05-27

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 hydration layer  

https://www.compchem.lu.se/article/oskar-svensson-has-been-awarded-scholarship-royal-physiographic-society-lund - 2026-05-27

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 each supervisor’s web page where you can for example read a short comment about what the research group is working with, read a recent publication from that gro

https://www.compchem.lu.se/education/degree-projects - 2026-05-27

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 problem that has hindered the development of sustainable solar fuels. If solar energy can be used more efficiently using iron-based systems, this could pave the way fo

https://www.compchem.lu.se/article/solar-fuel-conundrum-nears-solution-0 - 2026-05-27

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 on Kemicentrum’s website Management Head of DivisionJan Forsmanjan [dot] forsman [at] compchem [dot] lu [dot] se (jan[dot]forsman[at]compchem[dot]lu[dot]se)+46

https://www.compchem.lu.se/contact - 2026-05-27

   The Tiselius Prize for best PhD thesis in Physical Chemistry 2025We welcome nominations for the Tiselius Prize for the best doctoral thesis in physical chemistry 2025. Theses defended at a Swedish University during 2025 can be nominated for this year’s prize. The prize winner will be invited to present their thesis at the meeting The Svedberg Centennial Workshop: Physical Chemistry in Sweden 20

https://www.compchem.lu.se/article/tiselius-prize-best-phd-thesis-physical-chemistry-open-nominations - 2026-05-27

Research The Division of Computational Chemistry has internationally leading research by research groups with broad ranges of research areas Education The Division of Computational Chemistry has a unique strength and breadth with courses on Bachelor, Master and PhD level Infrastructure Computational Chemistry provide the researchers at LU with a facility where it is possible to measure and simulat

https://www.compchem.lu.se/start - 2026-05-27

Biomolecular AssemblyUsing a range of computational tools including Monte Carlo and Molecular Dynamics simulations we investigate interactions within and between bio-molecules. Examples are protein-protein assembly, protein ionization and pKa values, peptide-membrane interactions. We also develop software for coarse grained protein simulations.Quantum chemistry software and methodologyMolecules ca

https://www.compchem.lu.se/research - 2026-05-27