Action Deliverables:
1. Working Group 2. Description of gas adsorption, separation, and storage in MOFs along with Working Group 1 (M24); Optimized encapsulation of different active entities in MOFs along with Working Group 1 (M24); Catalytically active COF materials with pore-incorporated catalysts along with Working Group 3 (M36).
2. Working Group 3. Ab initio descriptions of the interaction between open-shell molecules and supported metal clusters along with Working Group 1 (M42).
3. Working Group 1. Creation of new protocols for excited state calculations (M12); Results of test calculations for ground- and excited-states of confined systems (M24); Creation of diverse datasets (M36); Assessment of methods against created datasets (M48).
4. Working Group 1. Descriptors of systems under confinement (M24); Development of ForceFields using Machine-Learning (M48); Development of embedding potentials describing confining environments along with Working Group 3 (M36).
5. Working Group 2. New protocols to characterize nucleic acids in crowded environments (M36); Quantification of binding specificity between organic compounds and confining environments (M36); Study of metal clusters in biological environments: optical/non-optical properties and charge transfer along with Working Group 3 (M36); Quantum dynamics of molecules under electromagnetic fields (M48).
6. Working Group 3. Mono- and bi-metallic nanoparticles and clusters with potential applications synthesized and spectroscopically characterized on various supports along with Working Group 4 (M48); Screening of specific electrochemical/photocatalytic reactivity of clusters by experiment and theory along with Working Group 4 (M48).
7. Working Group 3. Analysis of metal clusters interaction with biologically relevant molecules and involved reactivity (M42); Analysis of diffusion and aggregation of supported size-selected metal clusters along with Working Group 4 (M48).
8. Working Group 3. Links to SMEs – e.g., datasets and big data analysis by AI and ML technologies along with Working Groups 1 and 5, and generation of relevant prototypes of new materials for large-scale production along with Working Groups 3 and 4 – (M48).
9. Working Group 4. Controlled low-temperature aggregation and substrate-deposition of multicomponent metal nanostructures along with Working Group 3 (M26); Deposition and ex-situ characterization of relevant organo-metallic nanoparticles (M48).
10. Working Group 4. Spectroscopic characterization of helium droplet-aggregated organic light-harvesting complexes (M48); New routes for enhancing energy conversion using helium droplets (M48).
11. Working Group 4. Detailed analysis of astrophysically relevant cold reactions using helium droplets along with Working Group 5 (M48); Controlled low-temperature formation of cosmic dust nanoparticles (M48).
12. Working Group 5. Definition of the computational protocol for grain-chemistry and results along with Working Group 4 (M36); Thermochemical and kinetic database for grain-chemistry along with Working Group 1 (M48); Physical and chemical properties of adsorbed/desorbed molecules on/from interstellar grains (M48).
13. Working Group 5. Spectroscopic characterization of energetic processes on grains and of different nanoparticles along with Working Group 3 (M48); Definition of the computational protocol for gas-phase chemistry and results along with Working Group 1 (M36).
14. Working Group 5. Thermochemical and kinetic database for gas-phase chemistry in the interstellar medium (M48); Spectroscopic characterization of astrochemical molecules and set-up of a database along with Working Group 2 (M48).






