D3.6: Quantum Dynamics E-CAM modules V

In this report for Deliverable 3.6 of E-CAM, 6 software modules in quantum dynamics are presented. All modules stem from the activities initiated during the SAW held at Lyon (France) in June 2019 and the workshop ESDW: Quantum Dynamics, held at Durham University (UK) in July 2019. The modules originate from the input of E-CAM’s academic user base. They have been developed by members of the project (S. Bonella EPF-L), established collaborators (G. Worth University College London, S. Gomez University of Vienna, C. Sanz University of Madrid, D. Lauvergnat Paris-Saclay University, F. Agostini Paris-Saclay University), E-CAM post-doc (A. Chen CEA-Saclay) and new contributors to the E-CAM repository (M. Heindl University of Vienna, K. Parsons Dalhousie University, T. Tran University College London). The presence of new contributors indicates the interest of the community in our efforts. Furthermore, the contributors to modules in WP3 continue to be at different stages of their careers (in particular, K. Parsons, T. Tran, and M. Heindl are PhD students) highlighting the training value of our activities. 

Following the order of presentation, the 6 modules are named: G-CTMQC, FBTS-MPI, Quantics DD-vMCG MPI/OMP, SHARC-gym, ElVibRot-TID-MPI, and ElVibRot-TD-MPI. In this report, a short description is written for each module, followed by a link to the respective Merge-Request document on the GitLab service of E-CAM. These merge requests contain detailed information about the code development, testing and documentation of the modules. 

As this deliverable is the last one of its series, a section on the overall impact of the results achieved within the Workpackage Quantum Dynamics was also included, with an overview of the results achieved so far, how these have been disseminated in scientific publications, the industrial impact of the software developed, the training given in the WP which has led to many of the software outputs, and the societal impact of the WP.