[GAPG-1: Communication Strategy] During the first grant period, the primary goal will be to establish communication channels i) within the network with existing Action members; ii) towards researchers in related fields that are not yet members of the Action, in particular young researchers and researchers from under-represented groups; and iii) as outreach aimed towards the general public outside of academia as well as the industrial sector. We will achieve this objective by creating a website where information will be gathered about the action. Mailing lists will be used to keep interested participants up-to-date on events and research output from the Action, that will also be posted on the website. We will explore approaching popular science journals for publishing short communications highlighting the Action. Through dissemination, in, e.g., social media, we can further expand our outreach beyond researchers in the nearest fields. Webinars on promotion of under-represented groups will be made public. During the 1st Grant Period, one focus will be on female researchers. It includes the publication of Podcasts to launch the COST Action as well as top research results achieved at the end of the 1st Grant Period. It also also includes the creation of a living overleaf project where, for instance, the work and budget plan can be drafted and expanded.

Involved Action Objectives: Challenge, Capacity Building Objective 1, Capacity Building Objective 2, Capacity Building Objective 3, Capacity Building Objective 4, Capacity Building Objective 8.

1st GRANT PERIOD GOALS:

1. [GAPG-2/WG1] Testing of theoretical tools aimed to calculate interaction potentials between molecular systems and complex environments through open-shell symmetry-adapted perturbation theory, composite DFT/ab initio approaches, ML-based representations, and density-based embedding. Involved Action Objectives: Challenge, Research Coordination 1, Research Coordination 2, Research Coordination 3, Capacity Building 1, Capacity Building 2, Capacity Building 5, Capacity Building 6, and Capacity Building 7.
2. [GAPG-3/WG2] Testing and training on computational methods addressing the dynamics of molecular systems in molecular cages (MOFs, COFs), surfaces (metal/metal-oxide), interfaces, and under strong electromagnetic static or optical fields. Classical methods will be used to study the effect of molecular crowding on the structure and dynamics of biomolecules (nucleic acids and proteins). Involved Action Objectives: Challenge, Research Coordination 2, Research Coordination 3, Capacity Building 5, Capacity Building 6, Capacity Building 7, Capacity Building 8.
3. [GAPG-4/WG3] Selection of sample materials to address: 1) the synthesis and characterizations of single/few-atoms metal and metal-oxide clusters and their opto-electronic and functional properties, focusing on the impact of the cluster/support interaction; and 2) clusters-(bio-)molecules interaction in solution as a function of temperature and pressure. Involved Action Objectives: Challenge, Research Coordination 2, Research Coordination 3, Research Coordination 4, Capacity Building 1, Capacity Building 2, Capacity Building 5, Capacity Building 6.
4. [GAPG-5/WG4] Helium nanodroplets will be used for tailor making molecular complexes and nanoparticles. These confined nanoparticles and their aggregation dynamics will be probed by advanced in situ spectroscopy and imaging techniques and by microscopy after soft-landing deposition. Involved Action Objectives: Challenge, Research Coordination 3, Research Coordination 4, Research Coordination 6, Capacity Building 1, Capacity Building 2, Capacity Building 6.
5. [GAPG-6/WG5] Selecting molecular systems of astrochemical relevance in the gas and condensed phases, including their interphases. Such studies will focus on the reaction dynamics of the systems considered, on accurate ab initio calculations of the interaction potentials involved, and their spectroscopic/physical-chemical characterization. Involved Action Objectives: Challenge, Research Coordination 1, Research Coordination 2, Research Coordination 6, Capacity Building 1, Capacity Building 2, Capacity Building 6.
6. [GAPG-7] Hands on the writing of national and international proposals on the confined molecular systems covered by the COSY COST Action, with a focus on ITCs. Involved Action Objectives: Challenge, Capacity Building 5, Capacity Building 7.
7. [GAPG-8] Provision of references of successful careers within the COST Action network of under-represented groups. The objective is to help under-represented groups to access to senior academic positions by providing references of successful careers within the COSY network. Involved Action Objectives: Challenge, Capacity Building 8.