The main aim and objective of the Action is to provide a platform for coordinated efforts among different communities in Europe to redefine the state of the art on confined molecular systems and transfer the new generated knowledge to a sustainable industrial development and to the field of Astrochemistry. This will be achieved by the following “Research Coordination” and “Capacity Building” Objectives:

Research Coordination Objectives.

1. Joint strategy to combine ab initio methods with DFT and ML for describing molecule-environment interactions; integration of multi-scale embedding; extension of selected methods to describe open-shell and highly polarizable systems, charge transfer and excited states; generation of the COSY-INTER dataset; development of training opportunities on composite methods for COSY.
2. Development of a common methodology for investigating molecular motion in confined structures; combining multiscale Molecular Dynamics, Monte Carlo treatments and experimental-computational protocols to create new open-access codes for macroscopic studies of confinement effects; generation of the COSY-DYN dataset.
3. Joint strategies to integrate synthesis and theoretical-experimental characterizations of stability, chemical reactivity, diffusion, alloying, magnetic and optoelectronic properties of novel nanomaterials; dataset collection with industrial partners in COSY-NANO; dissemination of the research results to public and stakeholder outreach.
4. Exploitation of quantum fluid properties of helium droplets for technological applications; promoting Europe toward a leadership position in the field; coordinated efforts to synthesize and characterize technologically relevant prototypes of high-purity materials, well controlled in terms of size and composition, for efficient production; integration in the COSY-NANO dataset.
5. Joint strategy for bio-metal first-principles characterizations and experiments on metal nanoclusters interacting with biologically relevant molecules; common methodology on the integration of solvent effects, charge transfer, and transport through the metal-bio contact; identification of quantum effects in the contact; integration in the COSY-NANO dataset.
6. Creation of a platform for identification of confined molecular systems relevant to astrochemistry; development of common experimental and computational tools for the characterization of interstellar chemistry; accomplishment evaluation of experimental and computational tools; performance assessment of helium-droplet mediated spectroscopy for astrochemistry; development of the COSY-ASTRO dataset; dissemination of research results.

Capacity Building Objectives.

1. Creation of a leading research and training network in Europe that is uniquely focused on confined molecular systems.
2. Providing a unique and urgently needed platform for exchange and collaboration between research groups working on confined molecular systems scattered over many countries and over various scientific areas, including theoretical and experimental groups in the fields of atomic and molecular physics, physical chemistry, biology, material science, and astrochemistry.
3. Promotion of the exchange of knowledge, technical know-how and ideas, as well as establishing longlasting collaborations between academic and industrial partners.
4. Offering a platform for establishing and exploiting a direct connection to industry, including: high-valued markets in sustainable energy and life science, companies developing software for computational chemistry and physics, and those generating deep knowledge through artificial intelligence and machine learning tools.
5. Targeting the problem of research limitations in Inclusiveness Target Countries (ITCs) due to unequal access to funding, knowledge, infrastructure, and resources by prioritizing their participation in all COSY initiatives, including joint proposal preparation in response to high-level European calls, and engaging in dialog with the respective national funding agencies.
6. Promoting efficient use of common resources in COST-member countries by favoring the transnational mobility of young researchers through Short-Term Scientific Missions.
7. Helping Early Career Investigators (ECIs) to promote their careers by entrusting them with positions of responsibility within the Action, like including them as trainers in the organized Training Schools and as Chairs in the organization of focused meetings.
8. Helping under-represented genders to highlight their careers and favoring their access to senior academic positions.