Molecular Quantum Dynamics

Project funded by Swedish Research Council (Project grant), grant 2020-05293_VR. Participating organisations named by the source: University of Gothenburg. Funded amount: SEK 3,120,200, as stated by the source. Runs 2021-01-01 to 2024-12-31. 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 2025-12-05); national funding data, not CORDIS. Abstract given by the source: This project concerns theoretical and methodological development regarding quantum and classical aspects of chemical dynamics and applying these methods. Applications will primarily focus on the chemistry of interstellar space, specifically molecule formation. In modeling the huge network of chemical reactions occurring in interstellar space, large uncertainties in the results can be traced to certain reactions, which we will focus on.We will model diffusion and reactions on interstellar ices, which is important for understanding the formation of complex molecules, the chemical evolution of the interstellar medium and thus of our own existence. We aim to find ways to treat realistic chemical reactions involving large molecules and accounting for quantum effects, which is of general interest to be able to do. Our new “Open Polymer Classical Wigner” method will be the starting point for this. I will lead and coordinate the research, which will be performed within my group and through national and international collaborations. My group is expected to consist of myself, 1- 4 PhD students, one postdoc and one experienced researcher part-time. I expect to have implemented computer code for calculating diffusion, gas phase and condensed phase rate constants within the first year and that we will make improvements, extensions and applications during the second and third year. During the fourth year we will make our methods available in a general-purpose molecular dynamics code.

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 "Molecular Quantum Dynamics" project, funded by the Swedish Research Council with a grant of SEK 3,120,200, runs from January 1, 2021, to December 31, 2024, focusing on chemical dynamics in interstellar space and molecule formation. Suggested technology pillar: simulation. Generated by AI from the public source text; it may contain errors and the original source is authoritative.