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Metalloenzymes are proteins that contain one or more metal ions bound to protein. They constitute about one-third of all enzymes known so far and they often perform hard chemical reactions involving small substrates, like H2 and N2. In our research, we focus on those metal ions that are located in the active sites and perform redox reactions, i.e. involving electron transfer. Why enzymes?Metalloenzymes catalyse a wide variety of reactions in nature. In the thesis, I have studied the reaction mechanism of three metalloenzymes, viz. [NiFe] hydrogenase (H2ase), dimethyl sulfoxide reductase (DMSOR) and formate dehydrogenase (FDH), by theoretical methods, namely quantum mechanics (QM), combined quantum mechanical and molecular mechanics (QM/MM), as well as QM/MM thermodynamic cycle per

[NiFe] hydrogenases catalyze the reversible conversion of molecular hydrogen to protons and electrons. This seemingly simple reaction has attracted much attention because of the prospective use of H2 as a clean fuel. In this paper, we have studied the full reaction mechanism of this enzyme with various computational methods. Geometries were obtained with combined quantum mechanical and molecular m

This case study investigates the potentials, greenhouse gas (GHG), and energy performance of forest residue biofuels produced by new and emerging production technologies, which are commercially implemented in Sweden for heavy transport. The biofuel options included are ethanol (ED 95), hydro-processed vegetable oil (HVO), and liquefied biogas (LBG) produced from logging residues in forestry and sa

In this study, the use of energy carriers based on renewable energy sources in battery-powered electric vehicles (BPEVs), fuel-cell electric vehicles (FCEVs), hybrid electric vehicles (HEVs) and internal combustion engine vehicles (ICEVs) is compared regarding energy efficiency, emission and cost. There is the potential to double the primary energy compared with the current level by utilising vehi

24 april 2026 13:15 | Disputation The public defence of the thesis takes place on Friday April 24th, 2025 at 13:15 in E:1406 Thesis title: Rendering Small Things: Hardware Micromaps and ParticlesAuthor: Gustaf Waldemarson, Department of Computer Science, Lund UniversityFaculty opponent: Associate Professor Jeppe Frisvad, DTU Technical University of Denmark, DenmarkExamination Committee:Professor I

https://www.cs.lth.se/evenemang/gustaf-waldemarsons-phd-defence - 2026-07-23

10 juni 2026 10:15 till 11:00 | Exjobbspresentation Sofyan Hadi Syahputra presentar sitt exjobb Performance Evaluation of the Precision Time Protocol (PTP) over a Commercial 5G Campus Network den 10 juni, 10:15 i E2349. Exjobbet genomfördes på ABB med Ognjen Dobrijevic och Alf Isaksson som handledare, Galina Sidorenko som akademisk handledare och Michael Lentmaier som examinator.Accurate time sync

https://www.eit.lth.se/evenemang/exjobbspresentation-performance-evaluation-precision-time-protocol-ptp-over-commercial-5g-campus - 2026-07-23

27 August 2025 12:00 to 13:00 | Seminar A recording of the seminar is available ai.lu.se.Topic: Stop wasting energy! Performance vs Power consumption in classificationWhen: 27 August at 12.00-13.00Where: OnlineSpeaker: Andreas Bexell, Industrial PhD student, Software Development and Environments, Lund University and EricssonSpoken language: EnglishAbstractThe use of large language models is sweepi

https://www.ai.lu.se/evenemang/ai-lund-lunch-seminar-stop-wasting-energy-performance-vs-power-consumption-classification - 2026-07-23

https://www.vattenhallen.lu.se/fileadmin/vattenhallen/MIRJAM/PDF-filer/AccTeach_FindRightFacility_ENG.pdf - 2026-07-23

selected photographs Dreams and creativity was the topic for the third category. Dreams can be individual and collective and shared by a whole generation, and they are often shaped by socio-economic realities of different times and places. Cities can be sites of dreams for migrants who move there but their dreams might not be fulfilled. Cities are also often seen as creative places as they attract

https://www.ace.lu.se/dreams-and-creativity - 2026-07-23

Determination of the atomic structure of solid surfaces typically depends on comparison of measured properties with simulations based on hypothesized structural models. For simple structures, the models may be guessed, but for more complex structures there is a need for reliable theory-based search algorithms. So far, such methods have been limited by the combinatorial complexity and computational

Uranium atoms activate methane upon ultraviolet excitation to form the methyl uranium hydride CH3-UH, which undergoes alpha-H transfer to produce uranium methylidene dihydride, CH2UH2. This rearrangement most likely occurs on an excited-quintet potential-energy surface and is followed by relaxation in the argon matrix. These simple U + CH4 reaction products are identified through isotopic substitu

The accumulated experience and path-dependent development of petroleum-based transport fuels and internal combustion engine vehicles has created an apparent technological lock-in. Our analysis of a RApid Future vehicles and Fuels scenario (RAFF) for the EU shows that ambitious carbon emission reductions can be achieved even with projected increases in road transport. Furthermore, escaping the lock

Heme oxygenase is an enzyme that degrades heme, thereby recycling iron in most organisms, including humans. Pervious density functional theory (DFT) calculations have suggested that iron(III) hydroxyheme, an intermediate generated in the first step of heme degradation by heme oxygenase, is converted to iron(III) superoxo oxophlorin in the presence of dioxygen. In this article, we have studied the

Kinetics of lysine blockage, as an early step of the Maillard reaction, was investigated in commercial skim milk powder to understand the extent of the reaction, specifically after packages are opened and during the subsequent storage. Samples were stored at six conditions including three temperatures (30, 32.5 and 35 °C) and two relative humidities (43% and 52%) for 30 days, the period in which t