Quantum Dynamics of chemical processes

Project funded by Swedish Research Council (Project grant), grant 2016-03275_VR. Participating organisations named by the source: University of Gothenburg. Funded amount: SEK 3,000,000, as stated by the source. Runs 2017-01-01 to 2020-12-31. Keywords: Naturvetenskap, Natural Sciences, Fysik, Physical Sciences, Atom- och molekylfysik och optik, Atom and Molecular Physics and Optics. Source: OpenAIRE Graph, from the funder's project data (collected by OpenAIRE on 2025-12-04); national funding data, not CORDIS. Abstract given by the source: The project concerns methodological development regarding quantum aspects of chemical dynamics and application of these methods and other methods that already exist. Applications will focus on calculating spectra of small clusters and the chemistry of interstellar space, specifically including radiative association and processes in condensed phase. I will lead and coordinate the research, which will be performed within my group and through national and international collaborations. I expect to have results on diffusion, spectroscopy of small test systems, and a radiative association reaction after the first year of the project. The first results for more complicated systems I expect to come after two to three years, while we will need the full four years to complete those studies.In modeling the huge network of chemical reactions occurring in interstellar space, large uncertainties in the results can be traced to certain reactions. We will focus on treating those.We will model hydrogen diffusion on, and in, crystalline and amorphous ices. This is important for understanding the formation of complex molecules in interstellar space and therefore also its chemical evolution and our own existence. We also aim to find ways to treat realistic chemical reactions involving large molecules and accounting for quantum effects, which is of quite general interest to be able to do. Our “ensemble conserving classical Wigner” method should be a good starting point for this.

Original source.

Source: OpenAIRE Graph: projects of national funders, OpenAIRE, from the project data of Swedish Research Council. Retrieved 2026-10-28. Licence: Creative Commons Attribution 4.0 (OpenAIRE Graph). Selected metadata, adapted presentation; the publisher's record is authoritative. No endorsement by the source is implied. Licence: Creative Commons Attribution 4.0 (CC BY 4.0).

AI-assisted summary: The project "Quantum Dynamics of chemical processes" is funded by the Swedish Research Council with a grant of SEK 3,000,000, running from January 1, 2017, to December 31, 2020, at the University of Gothenburg. It focuses on quantum aspects of chemical dynamics and related applications. Suggested technology pillar: simulation. Generated by AI from the public source text; it may contain errors and the original source is authoritative.