3rd GRANT PERIOD GOALS:

1. [GAPG-1] Reinforcing the COST Action dissemination strategy. To disseminate the achievements of Short-TermScientific-Missions Grantees, mostly young
researchers, via a focused event where the Grantees will be invited to 2-3 minutes interviews. These interviews will be recorded and promoted in the social media. The planned virtual Training School will also include a focused session for training young researchers in communication skills. Science Webinar Series will continue and overview lectures on COST Action achievements by leading experts from the network will be delivered.

MoU Objective(s) it relates to: Challenge. Secondary objective 7. Secondary objective 9. Secondary objective 10. Secondary objective 13.

2. [GAPG-2] Reinforcing the COST Action Training Strategy. Creation of the `COSY Academy Series’ in COSY fields, complementing Training Schools: Training of the earliest career researchers (Ms. and PhD. students) on `hard skills’ (e.g., to handle theoretical and experimental approaches to confined molecular systems). Involvement of late young researchers (postdocs and early PIs) in training activities.

MoU Objective(s) it relates to: Challenge. Secondary objective 7. Secondary objective 8. Secondary objective 9. Secondary objective 13.

3. [GAPG-3] Consolidation of the strategy of the COST Action towards Task-Force Groups formation. Start-up of Task-Force Groups (co-lead by a YRI) on: a) Symmetry-Adapted Perturbation Theory for Intermolecular Interactions; (2) IR spectra of atoms/molecules/clusters interacting with polycyclic aromatic hydrocarbons (PAHs). Submission to e-vote of the selection procedure of (co-)leaders through an open call, with the (co-)leaders defining the planning of the activities of the task-force groups.

MoU Objective(s) it relates to: Challenge. Secondary objective 1. Secondary objective 3. Secondary objective 4. Secondary objective 8. Secondary objective 9. Secondary objective 13.

4. [GAPG-4] Training and new developments within WG1 towards: 1) ‘hands on’ in COSY network-made codes for describing intermolecular interactions; 2) design and validation of a practical post-Hartree-Fock and DFT-based approaches to the interaction between closedshell and open-shell atoms/molecules/clusters and Polycyclic Aromatic Hydrocarbons (PAHs); (3) application to the derivation of parameters of interatomic potential models applicable in molecular dynamics simulations on the nanoseconds scale.

MoU Objective(s) it relates to: Challenge. Secondary objective 1. Secondary objective 2. Secondary objective 7. Secondary objective 13.

5. [GAPG-5] Joining WG2 forces. Assessment of critical functional parameters to: 1) the design of a Metal Organic Framework (MOF) database for energy storage, catalysis and nanomedicine; 2) interaction between DNA and a novel series of dyes and natural polyamines; 3) nonadiabatic effects in the reactivity of oxygen molecules with metal clusters on the subnanoscale; 4) interactions and dynamics in excited electronic states, including non-adiabatic effects and photochemical reactions; and 5) dynamics of subnanometric metal clusters over surfaces. Multiauthored publications addressing the WG2 goals.

MoU Objective(s) it relates to: Challenge. Secondary objective 1. Secondary objective 2. Secondary objective 7. Secondary objective 13.

6. [GAPG-6] Broadening WG3 scopes towards: 1) The characterization of the infrared (IR) spectra of subnanometric metal clusters adsorbed on polycyclic aromatic hydrocarbons (PAHs); 2) support effects on conical intersections of metal clusters; 3) (photo-)catalysis of encapsulated metal cluster-metal oxide
nanoparticles (e.g., TiO2-based) in porous materials; 4) bio-applications of ligand-protected nanoparticles in solution; 5) development of machine learning accelerated algorithms to study fluxional dynamics in metal and metal-oxide nanoclusters; 6) synthesis, characterization, and modeling of amorphous carbonaceous phases for applications in sensing, (electro-(photo-))catalysis, and supercapacitance.

MoU Objective(s) it relates to: Challenge. Secondary objective 3. Secondary objective 5. Secondary objective 7. Secondary objective 8. Secondary objective 9. Secondary objective 10.

7. [GAPG-7] Emphasizing joint experimental-theory efforts in WG4 to: 1) Resolve the structure of multiply-charged helium nanodroplets and embedded molecules; 2) Explore relaxation processes in embedded molecules, with focus on light-harvesting complexes; 3) Time-resolved studies of aggregated formation; 4) Direct imaging of the structural dynamics of helium droplets and embedded aggregates; 5) Nanoparticle deposition and stabilization; 6) Spectroscopy of metal clusters and carbonaceous species of astrophysical relevance formed in helium nanodroplets; 7) Spectrometric study of diamondoid derivatives; 8) Synchrotron studies of radiation chemistry of microsolvated biomolecules.

MoU Objective(s) it relates to: Challenge. Secondary objective 4. Secondary objective 5. Secondary objective 6. Secondary objective 9.

8. [GAPG-8] Identification of astrochemically relevant “Complex Organic Molecules” (COMS), analysis of astrochemical environments by the vibrational
features, in the infrared (IR), the far-IR (FIR), the midIR (MIRI) and the near-IR (NIR) ranges, from isolated molecules to molecular complexes. Addressing complex IR features on molecule/cluster – Polycyclic aromatic hydrocarbon (PAHs) complexes due to the presence of conical intersections, and including helium nanodroplets as ultra-cold environments.

MoU Objective(s) it relates to: Challenge. Secondary objective 4. Secondary objective 6. Secondary objective 7. Secondary objective 8.

9. [GAPG-9] Reinforcing an active involvement of YRIs in the activities of the COST Action. Participation in Training Schools, General Meetings, and Working Group Meetings as co-organizers, trainers, and session cochairs. Co-leading task-force groups with mentorship from experienced researchers. Launch of the online “COSY Academy” Series. First event on theoretical methods to describe intermolecular interactions and molecular dynamics. Organization of an online soft skills event in collaboration with the Science Communication Team covering dissemination, self-presentation, and promotion. Focus on career development and inclusiveness of YRIs from all COSY countries (including ITCs).

MoU Objective(s) it relates to: Challenge. Secondary objective 7. Secondary objective 8. Secondary objective 9. Secondary objective 13.

10. [GAPG-10] FemCOSY Group Goal. During the 3rd grant period, FemCOSY will analyze the survey from the 2nd Grant Period to address gender imbalance in scientific fields, organizing the 3rd online FemCOSY Meeting with both male and female participants and speakers, and discuss survey results and potential follow-up surveys before publishing the findings. Goals include increasing female participation to 39%, male involvement to 30%, and achieving 100 attendees. The LOS will support dissemination and may seek for funding a specialized survey tool if needed.

MoU Objective(s) it relates to: Challenge. Secondary objective 14.