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A new quantum chemical definition is proposed of the full atomic valence, VA, taking into account both the covalent and ionic parts of the chemical bonds formed by atoms in molecules and crystals. The full atomic valencies, covalencies, and charges on atoms are calculated for nickel–oxygen crystalline compounds in the CNDO band theory approximation. A comparison of the chemical bonding in nickel a
Energy- and angle-resolved photoionization spectra of He irradiated by linearly polarized intense 810 nm laser radiation and several of its XUV odd harmonics are investigated. The angular distribution of the odd-order peaks, produced by single-photon ionization by one harmonic, is, surprisingly, broadened by the IR field. The even-order ones, due to two-colour, two-photon ionization, show at 90° l
Popular Abstract in Swedish En indikator-jon för en kvantdator Ända sedan transistorn uppfanns 1948 har datorer blivit allt mer kraftfulla. Trots den enorma utveckling som skett finns det fortfarande problem som är för svåra för en dator att lösa. Ett exempel är simulering av stora molekyler, t.ex. proteiner, vilket skulle vara användbart inom medicin och biologi, bland annat för att förutsäga hRare-earth ions doped into a transparent crystal can have optically excited states with coherence times of milliseconds and hyperfine levels with coherence times of hours when cooled down to liquid helium temperatures. This makes them attractive for developing quantum computing hardware. A quantum transistor can be implemented in a rare-earth-ion-doped crystal by utilizing a dipole blockade effe
We have calculated redox potentials of the two metal clusters in Mo-nitrogenase with quantum mechanical (QM) calculations. We employ an approach calibrated for iron–sulfur clusters with 1–4 Fe ions, involving QM-cluster calculations in continuum solvent and large QM systems (400–500 atoms), based on structures from combined QM and molecular mechanics (QM/MM) geometry optimisations. Calculations on
The unification of quantum mechanics and general relativity has long been elusive. Only recently have empirical predictions of various possible theories of quantum gravity been put to test, where a clear signal of quantum properties of gravity is still missing. The dawn of multi-messenger high-energy astrophysics has been tremendously beneficial, as it allows us to study particles with much higher
Ultracold clouds of dimeric molecules can dissociate into quantum mechanically correlated constituent atoms that are either both bosons or both fermions. We theoretically model the dissociation of two-dimensional anisotropic molecular condensates for which this difference manifests as complementary geometric structures of the dissociated atoms. Atomic bosons are preferentially emitted along the lo
Quantum science and technology – from fundamental science to applications 8:30 Coffee and registration 9:00 Introduction – chair: Peter Samuelsson NanoLund update by Anders Mikkelsen Andrew Jordan: Nanoscience and Quantum Technology: A Happy Marriage Presentation of Seedling Projects: Hedda Christine Soland, Ferdinand Omlor and Glenn J. Coope Poster pitches 10:30 Coffee break 11:00 Quantum Systems
https://www.nano.lu.se/sites/nano.lu.se/files/2025-10/Programme2025.pdf - 2026-10-03
The HLA-DQ β-chain gene shows a close association with susceptibility or resistance to autoimmune insulin-dependent diabetes mellitus (IDDM) and it has been suggested that the amino acid in position 57 may be of pathogenetic importance. To study the expression of the IDDM associated HLA-DQ β-chain alleles, we immunized rabbits with 12 to 13 amino acid long peptides representing HLA-DQw7 and -DQw8
Vi lever i en värld där produkter konsumeras i en allt snabbare takt och där det sällan tas ansvar för det skapade avfallet. Plast är på många sätt ett otroligt material men det sätter en stor belastning på miljön både genom produktion och som avfall. Alternativ till konventionell, helt fossilbaserad plast har funnits och utvecklats under en tid nu, till exempel genom återvinning av PET-flaskor. IWe live in a world where products are consumed at an ever increasing rate, and where responsibility for the waste created is seldom taken. Plastics are in many ways wondrous materials, but they put a big strain on the environment, both in production and as waste. Alternatives to the conventional, virgin fossil-based plastics have been available and emerging for some time now, for example seen in t
Soft biological tissues and engineered hydrogels for biomedical applications are intrinsically multiphasic materials, consisting of solid, fluid and possibly fixed and mobile ions. Understanding their mechanical behaviour requires experimental methods and theoretical models that take their multiphasic nature into account and allow for quantification of material parameters related to the different
This master’s thesis investigates the EU's intent to onshore its resource demand through a case study of mining projects in Oviken, Jämtland, Sweden. The study is based on empirical data collected through field research, encompassing 20 semi-structured interviews, street interviews, and observation. Through a qualitative approach, the thesis aims to capture views, arguments, and visions from d
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