DYNAMIX: Development of Mixed Quantum-Classical approaches for the study of ultrafast molecular dynamics and decoherence

Project funded by French National Research Agency (ANR), grant ANR-07-BLAN-0156. Participating organisations named by the source: UNIVERSITE TOULOUSE III [PAUL SABATIER]. Funded amount: EUR 115,000, as stated by the source. Runs 2008-03-11 to n/a. Source: OpenAIRE Graph, from the funder's project data (collected by OpenAIRE on 2026-07-23); national funding data, not CORDIS. Abstract given by the source: The objective of the research project is the development of novel mixed quantum/classical propagation methods and their application to study ultrafast molecular dynamics and decoherence processes, both on the basis of model systems as well as in direct contact with femtosecond pulse experiments. The real-time dynamics of complex, anharmonic, correlated many-body systems is one of the great challenges in contemporary physics with implications in reaction dynamics in chemistry and biology. The development of ultrashort laser pulses, first in the femtosecond and more recently in the attosecond domain, allows to follow the dynamics of such systems in real time, yielding a wealth of detailed dynamical information which hitherto was unavailable. The interpretation of those measurements requires detailed theoretical simulations, which go beyond a statistical description and ultimately require a quantum dynamical treatment. Despite the success of powerful numerical methods and increasing computer power, it is in general not possible to completely describe the quantum dynamics of complex systems like molecules or clusters embedded in matrices or deposited on surfaces, or chromophores in a protein environment. The complexity lies not only in the number of atoms, but also in the diversity of the interactions involved, the effects of an environment and the very different response to external fields. As a consequence, the development of novel methods for high-dimensional quantum propagations or mixed quantum/classical schemes is an active field of research, with implications well beyond atomic or molecular physics. Within this scientific context, the objective of the proposed research project is the development of novel, potentially more powerful mixed quantum/classical propagation schemes. These approaches will be applied to the study of decoherence processes as well as to the modelling of real time-resolved laser pulse experiment. Among the wide area of applications for the [shortened; the full text is on the OpenAIRE page]

Original source.

Source: OpenAIRE Graph: projects of national funders, OpenAIRE, from the project data of French National Research Agency (ANR). Retrieved 2026-10-22. 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 DYNAMIX project, funded by the French National Research Agency with EUR 115,000, aims to develop mixed quantum-classical methods for studying ultrafast molecular dynamics and decoherence. It involves collaboration with UNIVERSITE TOULOUSE III and runs from March 11, 2008. Suggested technology pillar: simulation. Generated by AI from the public source text; it may contain errors and the original source is authoritative.