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Message Passing is presently a widely deployed programming model in massively parallel high performance computing. Message Passing is suitable for programming a wide range of current computer architectures, ranging from multi-core desk top equipment to the fastest HPC systems in the world, offering several hundred thousand processing elements.This online course is at the beginners level and assume

https://www.lunarc.lu.se/article/introduction-parallel-programming-using-message-passing-mpi-16-17-23-and-24-september-2025 - 2025-11-15

This event explains key features of a contemporary HPC cluster, such as deployed within NAISS and by LUNARC.  It will explain the principles behind the job scheduler and how the scheduler can be used to accomplish your computational work in an efficient manner.  The examples will utilise the SLURM scheduler, which is deployed on the NAISS and LUNARC resources.The event is organised as an online se

https://www.lunarc.lu.se/article/cluster-architecture-and-job-submission-2-september-2025 - 2025-11-15

This event explains key features of a contemporary HPC cluster, such as deployed within NAISS and a number of Swedish universities.  It will explain the principles behind the job scheduler and how the scheduler can be used to accomplish your computational work in an efficient manner.  The examples will utilise the SLURM scheduler, which is deployed on the NAISS and university resources.The event i

https://www.lunarc.lu.se/article/running-jobs-clusters-25-november-2025 - 2025-11-15

Daniel Benoit moved from Canada to Sweden to take on the role as the new director for MoRe-Lab. Click below to read the full interview with Daniel Benoit:In EnglishIn Swedish

https://www.more-lab.lu.se/article/new-more-lab-director-daniel-benoit - 2025-11-15

A donor who wishes to remain anonymous has donated SEK 7.5 million to the Faculty of Medicine and the Movement & Reality Lab, an experimental health science test environment for full-scale studies of movement, activity and behavior. Read the full article here (new tab, Swedish)

https://www.more-lab.lu.se/article/multi-million-donation-more-lab-lund-university - 2025-11-15

Read the full news article with questions for Kiran Maini Gerhardsson, who wrote the study together with Steven Schmidt and Susanne Iwarsson. (New window, article in Swedish)Read the scientific article here (new window) 

https://www.more-lab.lu.se/article/first-more-lab-study-published - 2025-11-15

The other day, Vice-Chancellors from several Swedish universities were at a conference in Lund and took the opportunity to visit Medfak with their host, Vice-Chancellor Erik Renström. Read the full article on Intramed by clicking here. 

https://www.more-lab.lu.se/article/vice-chancellors-visiting-more-lab - 2025-11-15

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 - 2025-11-15

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 - 2025-11-15

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 - 2025-11-15

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 - 2025-11-15

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 - 2025-11-15

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 - 2025-11-15

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

https://www.compchem.lu.se/article/physical-review-b - 2025-11-15

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 - 2025-11-15

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 - 2025-11-15

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 - 2025-11-15

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 - 2025-11-15

   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 - 2025-11-15

The 3rd National Meeting of the Swedish Chemical Society, SCS2025, takes place in Stockholm next year, June 16-18, 2025. Participants from all fields of chemistry are welcome. The program will include inspiring presentations, interactive poster sessions, and ample networking opportunities.More information on the website of SCS2025 – 3rd National Meeting of the Swedish Chemical Society.

https://www.compchem.lu.se/article/visit-stockholm-next-summer-scs2025-meeting-everyone-passion-chemistry - 2025-11-15