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
1718356133
Linnea Lindh awarded the Oscar II Stipend for best PhD-thesis
1713861741
Stiftelsen Markussens studiefond has decided to award Doctoral student Amanda Eriksson Skog, Computational Chemistry
1710160944
Photosensitizer Simulations on the Cover
1702039338
Coffee and Salt on the Cover
1701951787
The Royal Physiographic Society of Lund has decided to award PhD Amanda Eriksson Skog and Postdoc Henrik Vinther Sørensen, Computational Chemistry
1700828729
Lesser Known Protein-Protein Interactions - Mikael Lund
1699431381
Clay – an ancient material with a great future
1686146813
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.
1685094217
More Swedish involvement in building the European Spallation Source
1675155375
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
1669034104
Multiscale Modelling of Atomistic Structure of Calcium Silicate Hydrate
1667215460
Victor Vysotskiy and Ulf Ryde won poster session within the TREX-QMC 2022 Workshop
1662367579
Marie Skepö has been elected to fellow in the Royal Physiographic Society in Lund
1649756214
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.
1649661360
Research Article from the journal: Physical Chemistry Chemical Physics
1649338194
Research Article published in Chemistry- A European Journal
1646231905
Lundaforskare tar hjälp av superdator för att förklara mystiska experimentresultat
1645014549
New article published on dye-sensitized solar cells with iron-based dyes, 2021-12-28
1643882150
New article published in Journal of Physical Chemistry B, January 2022
1643117599
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
1611170583
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
1610703392
Octav Caldararu: Oscar II Stipendium
1588661300
Project on “Photofunctional Iron Complexes” receives major funding
1570442499
Illustration by Pavel Chábera and Nils W. Rosemann.
New Report in Science on Photofunctional Iron Molecules
1543570069
Schematic illustration of Earth abundant iron carbene complexes for solar energy applications.
Astrochemistry and the molecular evolution of the universe
1542285127
On the back cover of Soft Matter
1529307251
Highlighted research presented on the back cover of Soft Matter.Strategic funding for environmentally friendly solar energy conversion
1518525262
Dr. Svante Hedström is awarded the Fabian Gyllenberg’s Prize 2017
1513862430
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
1511439067
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
1506945917
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
1495732482
Professor Emeritus Gunnar Karlström and PhD Fei Xie are awarded prizes.Modern alchemy creates luminescent iron molecules
1490882396
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
1484573760
Research presented on the cover of Soft Matter.Grant for Neutron Research awarded by NordForsk
1481180400
Two intensive courses in Statistical Thermodynamics this spring!
1480868340
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
1475665620
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
1471871760
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
1463576220
Schematic illustration of Earth abundant iron carbene complexes for solar energy applications.
Expensive metals may be replaced in the production of solar cells.
Symposium "Swedish Theoretical Chemistry 2016" - Registration is open
1461671400
"Lightening Bridges”, Lund University, Sweden, August 17-19, 2016.On the cover: Lateral Interactions between Adsorbed Enzymes
1460468640
Research presented on the cover of the Journal of Physical Chemistry B.Essential Knowledge of Proteins to Guide Pharmaceutical Industry
1458305340