archive

A half-day workshop (a satellite for the Swedish e-Science Academy meeting at Lund) Common challenges in large-scale code development 17/10, 13.00- 17.00

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Linnea Lindh awarded the Oscar II Stipend for best PhD-thesis

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Stiftelsen Markussens studiefond has decided to award Doctoral student Amanda Eriksson Skog, Computational Chemistry

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Photosensitizer Simulations on the Cover

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Coffee and Salt on the Cover

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The Royal Physiographic Society of Lund has decided to award PhD Amanda Eriksson Skog and Postdoc Henrik Vinther Sørensen, Computational Chemistry

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Lesser Known Protein-Protein Interactions - Mikael Lund

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Clay – an ancient material with a great future

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A new paper with a record breaking (*)number of co-authors is now available online. Read about new features of OpenMolcas - a leading program for electronic structure calculations.

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More Swedish involvement in building the European Spallation Source

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Chemical Physics Reviews by Petter Persson from the Theoretical Chemistry Division together with experimental colleagues Villy Sundström and Donatas Zigmantas at the Chemical Physics Division, as well as Tomas Polivka from the University of South Bohemia

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Multiscale Modelling of Atomistic Structure of Calcium Silicate Hydrate

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Victor Vysotskiy and Ulf Ryde won poster session within the TREX-QMC 2022 Workshop

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Marie Skepö has been elected to fellow in the Royal Physiographic Society in Lund

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The Banff International Research Station will host the "Mathematical Challenges in Computational Chemistry: Multiscale, Multiconfigurational Approaches, Machine Learning" workshop in Banff from July 8, 2022 to July 10, 2022.

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Research Article from the journal: Physical Chemistry Chemical Physics

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Research Article published in Chemistry- A European Journal

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Lundaforskare tar hjälp av superdator för att förklara mystiska experimentresultat

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New article published on dye-sensitized solar cells with iron-based dyes, 2021-12-28

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New article published in Journal of Physical Chemistry B, January 2022

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The project ”Making neutron crystallography easy and precise – a software pipeline for realising the full potential of the NMX diffractometer at ESS” has received funding

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We are happy to congratulate our friend and close collaborator Cliff Woodward, who most deservedly has been selected as an Honorary Doctorate at Lund University

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Octav Caldararu: Oscar II Stipendium

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Project on “Photofunctional Iron Complexes” receives major funding

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Illustration by Pavel Chábera and Nils W. Rosemann.

New Report in Science on Photofunctional Iron Molecules

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Schematic illustration of Earth abundant iron carbene complexes for solar energy applications.

Astrochemistry and the molecular evolution of the universe

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On the back cover of Soft Matter

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Highlighted research presented on the back cover of Soft Matter.

Strategic funding for environmentally friendly solar energy conversion

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Dr. Svante Hedström is awarded the Fabian Gyllenberg’s Prize 2017

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Illustration from Dr. Svante Hedström's thesis.

Svante Hedström is a former PhD Student of the Division of Theoretical Chemistry.

Two intensive courses in Statistical Thermodynamics in the spring

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Theoretical Chemistry announces two intensive courses in Statistical Thermodynamics spring 2018 (from beginning of April to beginning of June).

Recent study evidences the influence of shape complementarity and specific interactions on colloidal lock-and-key self-assembly

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Confocal micrographs of the lock-and-key self-assembly into colloidal molecules with thermo-responsive valence. Scale bars: 1um.

So-called lock-and-key interactions, i. e., the preferred association of molecular building blocks with complementary shapes, are omnipresent in biology, where they for example describe the interactions between enzymes and their substrates. They are also providing the basis for the formation of well-defined molecular complexes using supramolecular chemistry. This approach from the molecular world has now been successfully transferred to the colloidal domain, i.e. to much larger synthetic particles with complementary shapes.

Prizes to two chemists

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Professor Emeritus Gunnar Karlström and PhD Fei Xie are awarded prizes.

Modern alchemy creates luminescent iron molecules

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A group of researchers at Lund University in Sweden have made the first iron-based molecule capable of emitting light. This could contribute to the development of affordable and environmentally friendly materials for e.g. solar cells, light sources and displays.

On the cover: Non-monotonic temperature response of polymer mediated interactions

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Research presented on the cover of Soft Matter.

Grant for Neutron Research awarded by NordForsk

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Two intensive courses in Statistical Thermodynamics this spring!

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Theoretical Chemistry announces two new intensive courses in Statistical Thermodynamics in the spring of 2017 (from end of March to beginning of June).

Mastering Morphology for Solution-borne Electronics

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Figure. Single molecule spectroscopy of individual fluorescing polymer chains: their appearance in a fluorescence microscope (top left) and their blinking or fluctuating between a neutral (bright) and charged (dark) states (top right), together with calculated electronic properties of a light-harvesting polymer (bottom).

Researchers from the Chemistry Department participate in a new project that has been granted 28 MSEK support by the Knut and Alice Wallenberg Foundation.

New book: Multiconfigurational Quantum Chemistry

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Multiconfigurational Quantum Chemistry provides a timely and in-depth overview of this modern methodology that enhances our understanding of atomic states and structures in molecular systems. The content will unlock the potential of this wave function approach to any reader with a foundational grounding in quantum mechanics and quantum chemistry.

Iron carbene complexes for solar energy applications

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