1. [GAPG-1] Reinforcing the COSY dissemination strategy with a focus on Inclusiveness Target Countries. New initiatives include a virtual exhibition of short presentations from ITC researchers, a live “ITC Science Showcase” event series, and the launch of a “COSY Communicator of the Year” award. Continuation of the Science Webinar Series.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 7, 8, 11, 13.

2. [GAPG-2] Training activities will be aimed to bridge the gap from fundamental intermolecular interactions and spectroscopy to large-scale simulations and machine learning. The emphasis will be on practical applications in drug and materials design, including soft and biomolecular systems, through targeted schools on machine learning, computational chemistry, intermolecular interactions, and spectroscopy.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 7, 8, 11, 13.

3. [GAPG-3] Consolidation of the Task-Force Groups. The Symmetry-Adapted Perturbation Theory Group will organise an online tutorial and co-organise a training school focused on weak interactions. The Infrared Spectra and Polycyclic Aromatic Hydrocarbons Group will organize an international workshop on the topic aimed to promote interdisciplinary collaboration within the COST Action members.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 1, 3, 6, 8, 13, 14.

4. [GAPG-4] Generation of high-level ab-initio potential energy surfaces in ground and excited states using SAPT/multireference approaches, including non-adiabatic couplings, allowing the study of the photo-dissociation of molecules and radicals present in the Earth’s atmosphere, with special focus on phenomena relevant for environmental remediation, such as ozone depletion. SAPT: new extensions and applications.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 1, 2, 7, 8, 13.

5. [GAPG-5] WG2 expansion towards: Optimizing MOFs by machine learning/simulations; addressing ion/solvent effects on DNA-DNA interactions; molecular dynamics of confined lipid systems and supported metal clusters; ionic-liquid force-field parameters; quantum dynamics of ultrafast photoinduced charge/energy transfer; quantum wavepacket dynamics of oxygen interacting with copper clusters; machine-learning-based reactive potential energy surfaces delivered for Ag2-coronene.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 2, 3, 7, 8, 12, 13.

6. [GAPG-6] WG3 broadening towards: Oxidation/hydrogenation, fluxional dynamics and conical intersections in supported metal nanoclusters; Encapsulation of cluster–oxide nanoparticles in MOFs/zeolites and stabilization on oxide-supports for sensing/catalysis; Catalysis on CeLaOx, CeZrOx and oxide-supported nanoclusters for methane-to-methanol/C2 products; Photocatalysis on TiO2-supported clusters; Bio-/catalytic roles of ligand-protected clusters; Carbonaceous phases for catalysis/energy storage.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 3, 5, 7, 8, 9, 10.

7. [GAPG-7] WG4 Broadening towards: 1) time-resolved studies of unimolecular processes and bimolecular reactions of molecules confined in He nanodroplets; 2) Size selection and trapping of charged He nanodroplets; 3) HND-mediated aggregation of nanostructures; 4) New spectroscopic approaches (UPS, XPS, PECD); 5) Simulations of the structure/dynamics of molecules confined in He nanodroplets.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 4, 5, 8.

8. [GAPG-8] Identification of astro-COMs and molecule/cluster astrochemical environments by their IR features. Study of PAH complexes with possible conical intersections and helium nanodroplets as ultra-cold environments. Experimental and theoretical support for astronomical detections of neutral and ionic astro-COMs; confinement (interstellar ices, planetary soils), protective and destructive effects on the astroCOM formation, stability and photoreactivity.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 1, 6, 7, 8.

9. [GAPG-9] Supporting Young Researchers and Innovators (YRIs) from Inclusiveness Target Countries (ITCs) by prioritizing their participation, organization, and (co-)chairing of training activities, launching an ITC Equality Webinar, promoting YRIs through online meetings and social media through the communication team, and increasing the percentage of YRIs occupying leadership positions to 40%.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 7, 8, 11, 13.

10. [GAPG-10] Publication of the results of the survey by FemCOSY, organization of the 4th FemCOSY online webinar, continue the work on the Gender Equality Plan and Best Practices document, increasing women’s participation to over 40%, the FemCOSY webinar participants to over 100, with men’s representation to over 33%.
MoU Objective(s) it relates to: Challenge. Secondary objective 14.

11. [GAPG-11] To advance in the understanding of metal-bio (sub)nanocontacts through a model system (Ag3-DNA) which has been experimentally identified, delivering at the same time an example of how high-level ab initio assessment of theory can be achieved and how conical intersections with electronic excited states can started to be characterized.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 5, 8, 11.

12. [GAPG-12] To involve at least one representative from SMEs in at least 50% of the events, making connections with the private sector and fostering collaboration opportunities between academia and industry.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 3, 9, 10.

13. [GAPG-13] Benchmarking a generally applicable multi-reference ab-initio scheme to calculate harmonic frequencies of metal and bimetallic atomic clusters. Benchmarking selected DFT approaches with the ab-initio scheme on harmonic frequencies. Consideration of support (on PAHs), anharmonic, temperature, and solvent effects. Multiauthors’ publication.
MoU Objective(s) it relates to: Challenge. Secondary objectives: 1, 2, 3, 4, 5, 6.