2nd GRANT PERIOD GOALS:
[GAPG-1] Dissemination:To further develop the dissemination strategy of COST Action results and acquired knowledge described in the communication plan. During the 2nd Grant Period, specific goals are the opening of a webinar series, the celebration of an event dedicated to improve communication skills of young research investigators when presenting achievements of the COST Action, and the creation of separate podcasts for the five working groups to highlight the goals and early achievements of the COSY COST Action.
MoU Objective(s) it relates to: Challenge. Secondary objective 7. Secondary objective 10. Secondary objective 11. Secondary objective 13. Secondary objective 14
[GAPG-2] Balance on under-represented groups:To increase the proportion of young researchers & innovators and female researchers to at least 40% and 37%, respectively, preserving and even improving the proportion of members from ITC countries (40% on August 2023)
MoU Objective(s) it relates to: Secondary objective 11. Secondary objective 12. Secondary objective 13. Secondary objective 14.
[GAPG-3] WG1/WG1-5: Development and testing of Symmetry-Adapted Perturbation Theory (SAPT) and hybrid methods which are applicable to systems featuring strong multi-reference character (e.g., metal atoms interacting with hydrocarbons) and generalize SAPT to degenerate states, extending coupled second-order Möller-Plesset perturbation theory to multiconfigurational wave-functions. To explore the use of automatic generation of potential energy surfaces for gas-phase collisions with immediate applications in astrochemistry and atmospheric chemistry. To work out a joint multi-author publication dedicated to the interactions of metal atoms (Al, Ca, Mg) with hydrocarbons.
MoU Objective(s) it relates to: Secondary objective 1. Secondary objective 3. Secondary objective 6. Secondary objective 7. Secondary objective 12.
[GAPG-4] WG2/WG1-5:To explore the effect of confinement on the interactions between biomolecules (DNA) and binders; (2) to model structural properties of water molecules trapped in ionic liquid matrices; (3) to design novel porous structures in metal organic frameworks integrating much less explored metal centres, including composites encompassing nanoparticles of metal complexes and semiconductors; (4) to study the diffusion of atomic metal clusters on various supports; (5) to improve the fundamental understanding of non-adiabatic nuclear dynamics upon the interaction of fluxional atomically precise metal clusters with environmental molecules, including Jahn-Teller effects; (6) to carry out quantum dynamics calculations of molecules under coherent electromagnetic radiation (free and with static and dynamic confinements). Multi-authored publications addressing the specific topics are planned.
MoU Objective(s) it relates to: Secondary objective 2. Secondary objective 3. Secondary objective 7. Secondary objective 12.
[GAPG-5] WG3/WG1-5: Design, synthesis, and characterization of nanoclusters with different properties and functions, with an emphasis on nanotomography; understanding the effects of quantum confinement on supported substrates, control and manipulation at the nanoscale; (in cooperation with WG1 and WG2) developing new computational tools to address current challenges in achieving a more fundamental understanding of the structure and behavior of subnanometric (transition) metal and metal-oxide clusters, focusing on clustersurface interactions and challenges such as the design of viable photo-catalysts for water purification. Discussion of systems/problems which might connect WG3 and WG5. Metal/metal oxide catalysis which might be relevant in the field of astrochemistry will be also addressed.
MoU Objective(s) it relates to: Challenge. Secondary objective 1. Secondary objective 2. Secondary objective 3. Secondary objective 7. Secondary objective 12. Secondary objective 13.
[GAPG-6] WG4/WG1-5: The synthesis of tailored aggregates will be further advanced by using other atomic and molecular clusters as nanoscale test tubes, in addition to neutral and charged helium nanodroplets. The ultrafast dynamics of molecules confined in helium nanodroplets will be investigated both experimentally and theoretically. The topic of helium-droplet-mediated surface deposition will be specifically addressed. The possibility of forming task-force groups on highly specialized topics will also be discussed. A Themed Collection of publications entitled “Spectroscopy, imaging, and dynamics of molecules confined in helium nanodroplets” will be launched.
MoU Objective(s) it relates to: Challenge. Secondary objective 4. Secondary objective 7. Secondary objective 13.
[GAPG-7] WG5/WG1-4: The selection of molecular systems of astrochemical relevance in the gas and condensed phases, including their interphases; the investigation of reaction dynamics of the systems considered, supported by accurate ab initio calculations of the interaction potentials involved; spectroscopic/physicalchemical characterization of the confined systems selected. Creation of a positioning paper involving all WG5 members. It will be aimed at providing a complete review and future perspectives on the chemical (e.g., prebiotic) reactivity occurring in the interstellar medium. Emphasis will be given on the need of integrating the different skills and competences in order to obtain a complete view.
MoU Objective(s) it relates to: Challenge. Secondary objective 6. Secondary objective 7. Secondary objective 12. Secondary objective 13.
[GAPG-8] WGs transversality:To target transversality in activities across all working groups through the creation of taskforce groups (TFG), including TFG leaders. The (co-leadership of young researchers on joint multi-authors publications and positioning papers will be promoted).
MoU Objective(s) it relates to: Challenge. Secondary objective 6. Secondary objective 7. Secondary objective 13.
[GAPG-9] Gender balance: To improve the understanding of factors impacting the gender imbalance in the scientific fields covered by the COST Action. To target
quantitative assessment via the creation of a survey, with all Action members being invited. To propose potential policies at the research group level to enhance gender balance within research areas relevant to the COST Action.
MoU Objective(s) it relates to: Challenge. Secondary objective 14.
[GAPG-10] Young researchers’ communication: Hands-on training of the early researchers of the COST Action on delivering effective oral presentations.
MoU Objective(s) it relates to: Secondary objective 14.