PHYMOL DC8
PHYMOL DC8
PHYMOL: A Marie Skłodowska–Curie Actions Doctoral Network (MSCA DN) on Intermolecular Interactions
State-of-the art modelling of new quantum materials: surface-supported metal atomic quantum clusters.

DC8 Team
DC8 Publications
PI’s publications
1. de Lara‐Castells, M. P. An Ab Initio Journey toward the Molecular‐Level Understanding and Predictability of Subnanometric Metal Clusters. Small Structures, 2024, 5, 202400147. https://doi.org/10.1002/sstr.202400147
Current advances in synthesizing and characterizing atomically precise monodisperse metal clusters (AMCs) at the subnanometer scale have opened up new possibilities in quantum materials research. Their quantizied «molecule-like» electronic structure showcases unique stability, and physical and chemical properties differentiate them from larger nanoparticles. When integrated into inorganic materials that interact with the environment and sunlight, AMCs serve to enhance their (photo)catalytic activity and optoelectronic properties. Their tiny size makes AMCs isolated in the gas phase amenable to atom-scale modeling using either density functional theory (DFT) or methods at a high level of ab initio theory, even addressing nonadiabatic (e.g., Jahn–Teller) effects. Surface-supported AMCs can be routinely modeled using DFT, enabling long real-time molecular dynamics simulations. Their optical properties can also be addressed using time-dependent DFT or reduced density matrix (RDM) theory. These theoretical–computational efforts aim to achieve predictability and molecular-level understanding of the stability and properties of AMCs as function of their composition, size, and structural fluxionality in different thermodynamical conditions (temperature and pressure). In this perspective, the potential of ab initio and DFT-based modeling is illustrated through recent studies of unsupported and surface-supported AMCs. Future directions of research are also discussed, including applications and methodological enhancements beyond the state-of-the-art.
- Inside Back Cover. Small Structures, 2024, 5, 202400148. https://doi.org/10.1002/sstr.202470048 (designed by DC)
2. Buceta, D.; Huseyinova, S.; Cuerva, M.; Lozano, H.; Giovanetti, L. J.; Ramallo‐López, J. M.; López‐Caballero, P.; Zanchet, A.; Mitrushchenkov, A. O.; Hauser, A. W.; et al. Stability and Reversible Oxidation of Sub‐Nanometric Cu5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling. Chemistry–A European Journal, 2023, 29, 202301517. https://doi.org/10.1002/chem.202301517
Sub-nanometer metal clusters have special physical and chemical properties, significantly different from those of nanoparticles. However, there is a major concern about their thermal stability and susceptibility to oxidation. In situ X-ray Absorption spectroscopy and Near Ambient Pressure X-ray Photoelectron spectroscopy results reveal that supported Cu5 clusters are resistant to irreversible oxidation at least up to 773 K, even in the presence of 0.15 mbar of oxygen. These experimental findings can be formally described by a theoretical model which combines dispersion-corrected DFT and first principles thermochemistry revealing that most of the adsorbed O2 molecules are transformed into superoxo and peroxo species by an interplay of collective charge transfer within the network of Cu atoms and large amplitude «breathing» motions. A chemical phase diagram for Cu oxidation states of the Cu5-oxygen system is presented, clearly different from the already known bulk and nano-structured chemistry of Cu.
- Cover Feature. Chemistry-A European Journal, 2023, 29, 202302209. https://doi.org/10.1002/chem.202302209
3. Mitrushchenkov, A. O.; Pilar de Lara‐Castells, M. High‐level Ab Initio Evidence of Bipyramidal Cu5 Clusters as Fluxional Jahn‐Teller Molecules. ChemPhysChem, 2023, 24, 202300317. https://doi.org/10.1002/cphc.202300317
Novel highly selective synthesis techniques have enable the production of atomically precise monodisperse metal clusters (AMCs) of subnanometer size. These AMCs exhibit «molecule-like» structures that have distinct physical and chemical properties, significantly different from those of nanoparticles and bulk material. In this work, copper pentamer Cu5 clusters are studied as model AMCs by applying both density functional theory (DFT) and high-level (wave-function-based) ab initio methods, including those which are capable of accounting for the multi-state multi-reference character of the wavefunction at the conical intersection (CI) between different electronic states and augmenting the electronic basis set till achieving well-converged energy values and structures. After assessing the accuracy of a high-level multi-multireference ab initio protocol for the well-known Cu3 case, it has been applied to demonstrate that bypiramidal Cu5 clusters are distorted Jahn-Teller (JT) molecules. The method is further used to evaluate the accuracy of single-reference approaches, finding that the coupled cluster singles and doubles and perturbative triples CCSD(T) method delivers the results closer to our ab initio predictions and that dispersion-corrected DFT can outperform the CCSD method. Finally, it is discussed how JT effects and, more generally, conical intersections, are intimately connected to the fluxionality of AMCs, giving them a «floppy» character that ultimately facilitates their interaction with environmental molecules and thus enhances their functioning as catalysts.
- Front Cover. ChemPhysChem, 2023, 24, 202300638. https://doi.org/10.1002/cphc.202300638 (designed by DC)
- Cover Profile. ChemPhysChem, 2023, 24, 202300637. https://doi.org/10.1002/cphc.202300637
4. Fernández, B.; de Lara-Castells, M. P. Meta-Stability through Intermolecular Interactions Protecting the Identity of Atomic Metal Clusters: Ab Initio Evidences in (Cu5–Cu5)n (n<3) Cases. Physical Chemistry Chemical Physics, 2022, 24, 26992–26997. https://doi.org/10.1039/d2cp03537e (highlighted as «2022 PCCP HOT Article»)
Recent developments in new synthesis techniques have allowed the production of precise monodisperse metal clusters composed of a few atoms. These atomic metal clusters (AMCs) often feature a molecule-like electronic structure, which makes their physical and chemical properties particularly interesting in nanotechnology. Regarding potential applications, there is a major concern about the sintering of AMCs in nanoparticles due to the loss of their special properties. In this work, multireference ab initio theory is applied to demonstrate the formation of coupled AMC–AMC clusters in which the AMC partners maintain their «identity» to a large extent in terms of their initial structures and atomic Mulliken charges, and their further oligomerization.
5. Garrido-Aldea, J.; de Lara-Castells, M. P. Aggregation and Support Effects in the Oxidation of Fluxional Atomic Metal Clusters. The Paradigmatic Cu5 Case. Physical Chemistry Chemical Physics, 2022, 24, 24810–24822. https://doi.org/10.1039/d2cp02169b
The recent development of new synthesis techniques has allowed the production of monodisperse metal clusters composed of a few atoms. Follow-up experimental spectroscopic characterization has indicated the stability of these atomic metal clusters (AMCs). Despite the common assumption that the occurrence of an irreversible oxidation becomes more likely as the cluster size decreases, its quenching and reversible nature has been experimentally identified in the particular case of Cu5 clusters, making them paradigmatic. This work aims to address the influence of aggregation and the effects of a chemically inert carbon-based support on the oxidation of AMCs, considering the case of Cu5 as a model system. For this purpose, an extended first-principles study of the oxidation of Cu5–Cu5 and circumpyrene-supported Cu5 is presented, comparing it with that of unsupported Cu5, and combine dispersion-corrected density-functionals, first principles thermochemistry, and ab initio molecular dynamics (AIMD) simulations within an adiabatic approach. Our results indicate that a molecular chemisorption/desorption model is sensible upon consideration of aggregation and support effects in such a way that the predicted (p-T)-phase diagrams do not differ significantly from those obtained for unsupported Cu5. Insights into the decoupling of the Cu5–Cu5 dimer into Cu5 sub-units through activated fluxional rotational motion, upon heating, as well as the adsorption of multiple O2 molecules at high oxygen gas pressures are also provided. Furthermore, numerical evidence shows the likelihood of a support-mediated mechanism leading to the dissociation of chemisorbed peroxo O22- species, delivering states with very similar energies to those characterized by molecular chemisorption. A Boltzmann-weighted average of the free energies of formation is computed as well, coming up with a diagram of the dominant copper oxidation states as a function of temperature and oxygen gas pressure.
6. Carroll, L. L.; Moskaleva, L. V.; de Lara-Castells, M. P. Carbon Vacancy-Assisted Stabilization of Individual Cu5 Clusters on Graphene. Insights from Ab Initio Molecular Dynamics. Physical Chemistry Chemical Physics, 2023, 25, 15729–15743. https://doi.org/10.1039/d2cp05843j
Recent advances in synthesis and characterization methods have enabled the controllable fabrication of atomically precise metal clusters (AMCs) of subnanometer size that possess unique physical and chemical properties, yet to be explored. Such AMCs have potential applications in a wide range of fields, from luminescence and sensing to photocatalysis and bioimaging, making them highly desirable for further research. Therefore, there is a need to develop innovative methods to stabilize AMCs upon surface deposition, as their special properties are lost due to sintering into larger nanoparticles. To this end, dispersion-corrected density functional theory (DFT-D3) and ab initio molecular dynamics (AIMD) simulations have been employed. Benchmarking against high-level post-Hartree–Fock approaches revealed that the DFT-D3 scheme describes very well the lowest-energy states of clusters of five and ten atoms, Cu5 and Cu10. AIMD simulations performed at 400 K illustrate how intrinsic defects of graphene sheets, carbon vacancies, are capable of confining individual Cu5 clusters, thus allowing for their stabilization. Furthermore, AIMD simulations provide evidence on the dimerization of Cu5 clusters on defect-free graphene, in agreement with the ab initio predictions of (Cu5)n aggregation in the gas phase. The findings of this study demonstrate the potential of using graphene-based substrates as an effective platform for the stabilization of monodisperse atomically precise Cu5 clusters.
7. Fernández, B.; Pi, M.; de Lara-Castells, M. P. Superfluid Helium Droplet-Mediated Surface-Deposition of Neutral and Charged Silver Atomic Species. Physical Chemistry Chemical Physics, 2023, 25, 16699–16706. https://doi.org/10.1039/d3cp01303k
Experimental and theoretical work has delivered evidence of the helium nanodroplet-mediated synthesis and soft-landing of metal nanoparticles, nanowires, clusters, and single atoms on solid supports. Recent experimental advances have allowed the formation of charged metal clusters into multiply charged helium nanodroplets. The impact of the charge of immersed metal species in helium nanodroplet-mediated surface deposition is proved by considering silver atoms and cations at zero-temperature graphene as the support. By combining high-level ab initio intermolecular interaction theory with a full quantum description of the superfluid helium nanodroplet motion, evidence is presented that the fundamental mechanism of soft-deposition is preserved in spite of the much stronger interaction of charged species with surfaces, with high-density fluctuations in the helium droplet playing an essential role in braking them. Corroboration is also presented that the softlanding becomes favored as the helium nanodroplet size increases.
Publications involving DC
1. Krupka, K. M.; Krzemińska, A.; de Lara-Castells, M. P. A Practical Post-Hartree-Fock Approach Describing Open-Shell Metal Cluster-Support Interactions. Application to Cu3 Adsorption on Benzene/Coronene. RSC Advances, 2024, 14, 31348–31359. https://doi.org/10.1039/d4ra05401f
Current advances in synthesizing and characterizing atomically precise monodisperse metal clusters (AMCs) at the subnanometer scale have opened up fascinating possibilities in designing new heterogeneous (photo)catalysts as well as functional interfaces between AMCs and biologically relevant molecules. Understanding the nature of AMC-support interactions at molecular-level is essential for optimizing (photo)catalysts performance and designing novel ones with improved properties. Møller-Plesset second-order perturbation theory (MP2) is one of the most cost-efficient single-reference post-Hartree-Fock wave-function-based theories that can be applied to AMC-support interactions considering adequate molecular models of the support, and thus complementing state-of-the-art dispersion-corrected density functional theory. However, the resulting AMC–support interaction is typically overestimated with the MP2 method and must be corrected. The MP2C scheme, replacing the uncoupled Hartree-Fock dispersion energy by a coupled dispersion contribution, has been proven to describe accurately van-der-Waals (vdW)-dominated interactions between closed-shell AMCs and carbon-based supports. In this work, the accuracy of a MP2C-based scheme is evaluated in modelling open-shell AMC-cluster interactions that imply charge transfer or other strong attractive energy contributions beyond vdW forces. For this purpose, the interaction of Cu3 with molecular models of graphene of increasing size (benzene and coronene) is considered. In this way, it is shown that subchemical precision (within 0.1 kcal/mol) is achieved with the modified MP2C scheme, using the explicitly correlated coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)-F12] as a benchmark method. It is also revealed that the energy difference between uncoupled and coupled dispersion terms closely follows benchmark values of the repulsive intramonomer correlation contribution. The proposed open-shell MP2C-based approach is expected to be of general applicability to open-shell atomic or molecular species interacting with coronene for regions of the potential lanscape where single-reference electronic structure descriptions suffice.
2. Krupka, K. M.; de Lara-Castells, M. P. Support Effects on Conical Intersections of Jahn–Teller Fluxional Metal Clusters on the Sub-Nanoscale. Physical Chemistry Chemical Physics, 2024, 26, 28349–28360. https://doi.org/10.1039/d4cp03271c
The concept of fluxionality has been invoked to explain the enhanced catalytic properties of atomically precise metal clusters of subnanometer size. Cu3 isolated in the gas phase is a classical case of fluxional metal cluster where a conical intersection leads to a Jahn-Teller (JT) distortion resulting in a potential energy landscape with close-lying multiminima and, ultimately, fluxional behavior. In spite of the role of conical intersections in the (photo)stability and (photo)catalytic properties of surface-supported atomic metal clusters, they have been largely unexplored. In this work, by applying a high-level multi-reference ab initio method aided with dispersion corrections, support effects on the conical intersection of Cu3 are analyzed, considering benzene as a model support molecule of carbon-based surfaces. It is verified that the region around the conical intersection and the associated Jahn-Teller (JT) distortion is very slightly perturbed by the support when the Cu3 cluster approaches it in a parallel orientation: Two electronic states remain degenerate for a structure with a C3 symmetry consistent with the D3h symmetry of unsupported Cu3 at the conical intersection. It extends over a one-dimensional seam that characterizes a physisorption minimum of the Cu3-benzene complex. The fluxionality of the Cu3 cluster, reflected in large fluctuations of relaxed Cu-Cu distances as function of the active JT mode, is kept unperturbed upon complexation with benzene as well. In stark contrast, for the energetically favored perpendicular orientation of the Cu3 plane to the benzene ring plane, the conical intersection (CI) is located 12100 cm-1 (~1.5 eV) above the chemisorption minimum, with the fluxionality being kept at the CI’s nearby and lost at the chemisorption well. The first excited state at the perpendicular orientation has a deep well (> 4000 cm-1), being energetically closer to the CI. The transition dipole moment between ground and excited states has a significant magnitude, suggesting that the excited state can be observed through direct photo-excitation from the ground state. Besides demonstrating that the identity of an isolated Jahn-Teller metal cluster can be preserved against support effects at a physisorption state and lifted out at a chemisorption state, our results indicate that a correlation exists between conical intersection topography and fluxionality in the metal cluster’s Cu-Cu motifs.
- Inside Front Cover. Physical Chemistry Chemical Physics, 2024, 26, 28294–28294. https://doi.org/10.1039/d4cp90200a
Krupka, K. M.; Carroll, L. L.; de Lara-Castells, M. P. Functionalization of zeolite-encapsulated Cu5 clusters as visible-light photoactive sub-nanomaterials. RSC Advances, 2025, 15, 2086-2098. https://doi.org/10.1039/D4RA08633C
The unique structural properties of zeolites make them ideal environments for encapsulating subnanometric metal clusters on their microporous channels and cavities, showing an enhanced catalytic performance. As a first step towards the functionalization of these clusters as photocatalysts as well, this work addresses the optical properties of zeolite-encapsulated Cu5-TiO2 nanoparticles as well as their application in the photo-induced activation of CO2 by sunlight. Model density functional theory (DFT) calculations indicate the stability of the Cu5 cluster adsorbed on the TiO2 nanoparticles filling the pores of a model zeolite structure. Second, it is shown that while TiO2 nanoparticles absorb in the UV, the photo-absorption spectrum of the Cu5-TiO2 nanoparticle composite is peaked at the visible region, where the sun has its maximum energy input, also allowing for the photo-induced activation of CO2 adsorbed onto the Cu5 cluster.
DC8 Dissemination
PI
- First-principles modelling of subnanometer-sized catalysts and photocatalysts: TiO2-supported coinage metal clusters as case studies
Event: COSYES SUMMER AND LIVE MEETING 2022
Date: June 2-3, 2022
Role: Lecture, organization of the meeting, active participation in discussions.
URL: http://www.abinitsim.iff.csic.es/summer-meeting-2022 - Towards a molecular-level understanding of fluxional metal atomic clusters. Recent case studies.
Event: The 23rd European Conference on the Dynamics of Molecular Systems (MOLEC 2022)
Date: August 21-26, 2022
Role: Invited lecture, active participation in discussions.
URL: https://www.molec2022.org/program/ - Unsupported and graphene-supported atomic copper clusters and silver atoms: soft-deposition, stabilization, aggregation, and oxidation
Event: Cluster Meeting 2023
Date: June 18-23, 2023
Role: Invited lecture, session chair, active participation in discussions.
URL: https://clustermeeting2023.eu/ - An ab initio journey towards the molecular-level understanding of subnanometric metal clusters
Event: 1st Webinar of the COST Action “COSY”
Date: March 25, 2024
Role: Invited webinar, active participation in discussions.
URL: https://cost-cosy.eu/activity/1st-webinar-of-the-cost-action-cosy - An ab initio journey towards the molecular-level understanding of subnanometric metal clusters
Event: COST Action CA21101 «COSY» Training School “Confined Molecular Systems in Helium Nanodroplets”, ELI Beamlines, Dolni Brezany, Czech Republic
Date: June 18-21, 2024
Role: Invited online overview talk.
URL: https://cost-cosy.eu/activity/training-school-confined-molecular-systems-in-helium-nanodroplets/ - An ab initio journey towards the molecular-level understanding of subnanometric metal clusters
Event: The Second COST Action CA21101 «COSY» General Meeting, Wrocław, Poland
Date: July 1-3, 2024
Role: Invited overview talk, active participation in discussions.
URL: https://cost-cosy.eu/activity/the-second-cosy-general-meeting/ - An ab initio journey towards the molecular-level understanding of subnanometric metal clusters
Event: CATCOSY 2024 — Meeting Facing Challenges: Subnanometric Metal and Metal-Oxide Catalysts and Photocatalysts
Date: September 26-27, 2024
Role: Organizer, overview lecture during the final round table discussion, active participation in discussions.
URL: https://cost-cosy.eu/activity/workshop-facing-challenges/
DC
- Event: PHYMOL Kick-off Conference 2023, Luxembourg, Luxembourg (September 12-15, 2023)
Presentation: DC8 Introduction Talk – General project presentation
Audience: Research communities, industry, innovators.
URL: https://phymol.eu/events - Event: 2nd Virtual Symposium of WG3, COST Action CA21101 (November 27, 2023)
Presentation: An exploratory study of intermolecular interactions between metal atomic quantum clusters and aromatic hydrocarbons – Short presentation of results
Audience: Research communities, innovators.
URL: https://cost-cosy.eu/activity/second-virtual-meeting-of-the-cosy-wg3/ - Event: COST Action CA21101 «COSY» Training School “Confined Molecular Systems in Helium Nanodroplets”, ELI Beamlines, Dolni Brezany, Czech Republic (June 21, 2024)
Workshop: Symmetry-Adapted Perturbation Theory (SAPT) for intermolecular interactions and quantum fluid clusters – Conducted workshop
Audience: Research communities, innovators.
URL: https://cost-cosy.eu/activity/training-school-confined-molecular-systems-in-helium-nanodroplets/ - Event: The Second COST Action CA21101 «COSY» General Meeting, Wrocław, Poland (July 1, 2024)
Presentation: An ab initio approach to open-shell metal cluster-support interactions: Case study of Cu3 adsorption on benzene and coronene – Poster and results flash presentation
Audience: Research communities, industry, innovators.
URL: https://cost-cosy.eu/activity/the-second-cosy-general-meeting/ - Event: PHYMOL 2nd Training School, Cambridge, UK (September 2-6, 2024)
Presentation: DC8 Presentation – General project and results presentation
Audience: Research communities.
URL: https://phymol.eu/events - Event: CATCOSY 2024 — Meeting Facing Challenges: Subnanometric Metal and Metal-Oxide Catalysts and Photocatalysts, Madrid, Spain (September 27, 2024)
Presentation: A practical ab initio approach to open-shell metal cluster-support interactions – Invited hot topic presentation of the results
Audience: Research communities, industry, innovators.
URL: https://cost-cosy.eu/activity/workshop-facing-challenges/
Social media and webpages
DC8 PI and DC create content and update regularly social media channels and webpages, see:
- https://cost-cosy.eu/
- https://cosyes.csic.es/
- https://es.linkedin.com/company/cosy-cost-action-ca21101
- https://x.com/COSY_Action
- https://x.com/abinitsim
- https://bsky.app/profile/cosy-action.bsky.social
- https://es.linkedin.com/in/maria-pilar-de-lara-castells
- https://x.com/MARIAPILARDELA1
- https://bsky.app/profile/accosycost.bsky.social
- https://es.linkedin.com/in/katarzyna-m-krupka
- https://x.com/kateium
- https://bsky.app/profile/kateium.bsky.social
DC8 Leadership Positions & Social Activity
- COST Action CA21101 «COSY» Main Proposer and Chair of the Action (PI)
https://www.cost.eu/actions/CA21101/ - COST Action CA21101 «COSY» Social Media Manager, Functional Core Group (DC)
https://www.cost.eu/actions/CA21101/ - COST Action CA21101 «FemCOSY» Gender Equality Group Founder (PI)
- COST Action CA21101 «FemCOSY» Gender Equality Group Board Members (both PI and DC): Activity in gender equality initiative.
- COST Action CA21101 «COSY» Member in Working Groups 1, 2, 3, 4, 5 (PI)
- COST Action CA21101 «COSY» Member in Working Groups 1, 2, 3, 4 (DC)
DC8 Organizational Activities
PI
- Organizer of the 1st Face-to-Face Core Group Meeting of the COST Action CA21101 (January 26, 2024)
https://cost-cosy.eu/activity/the-1st-face-to-face-core-group-meeting-of-the-cosy-cost-action/ - Organizer and Chair of the COSYES SUMMER AND LIVE MEETING 2022 (June 2-3, 2022)
http://www.abinitsim.iff.csic.es/summer-meeting-2022 - Co-Organizer of The First COSY General Meeting (March 1-3, 2023)
https://cost-cosy.eu/activity/the-first-cosy-general-meeting/ - Main Organizer and Chair of the CATCOSY 2024 — Meeting Facing Challenges: Subnanometric Metal and Metal-Oxide Catalysts and Photocatalysts (September 26-27, 2024)
https://cost-cosy.eu/activity/workshop-facing-challenges/ - Main Organizer of the 1st Face-to-Face FemCOSY Board Meeting of the COST Action CA21101 (January 24, 2025)
https://cost-cosy.eu/activity/the-1st-face-to-face-femcosy-board-meeting/ - Co-Organizer of ALL the activities of the COST Action CA21101 «COSY» (Action Chair)
https://cost-cosy.eu/activities/
DC
- Member of the Organizing Committee 1st «Listen-To-My-Presentation» COST Action CA21101 Workshop (June 3, 2024)
https://cost-cosy.eu/activity/the-1st-listen-to-my-presentation-event/ - Member of the Organizing Committee and Chair of Poster Session at CATCOSY 2024 — Meeting Facing Challenges: Subnanometric Metal and Metal-Oxide Catalysts and Photocatalysts (September 26-27, 2024)
https://cost-cosy.eu/activity/workshop-facing-challenges/ - Member of the Organizing Committee 2nd «Listen-To-My-Presentation» COST Action CA21101 Workshop (November 25, 2024)
https://cost-cosy.eu/activity/the-2nd-listen-to-my-presentation-workshop/ - Co-Organizer of the 1st Face-to-Face FemCOSY Board Meeting of the COST Action CA21101 (January 24, 2025)
https://cost-cosy.eu/activity/the-1st-face-to-face-femcosy-board-meeting/
DC8 Training
Scientific training
- PHYMOL Kick-off Conference 2023
Date: September 12-15, 2023
Location: University of Luxembourg, Luxembourg
Role: Active participation in lectures, workshops and discussions.
URL: https://phymol.eu/events - Workshop: Moving ions with VASP for the advanced user
Date: November 13-17, 2023
Organizer: VASP Software GmbH
Role: Active participation.
URL: https://www.vasp.at/info/post/workshop-announcement-2023/ - 2nd Virtual Symposium of WG3, COST Action CA21101
Date: November 27, 2023
Event: Control at the Nanoscale
Role: Active participation in workshops and discussions.
URL: https://cost-cosy.eu/activity/second-virtual-meeting-of-the-cosy-wg3/ - PHYMOL 1st Training School
Date: February 5-10, 2024
Location: Nicolaus Copernicus University in Toruń, Poland
Role: Active participation in workshops and discussions.
URL: https://phymol.eu/events - 1st Science Webinar of COST Action COSY
Date: March 25, 2024
Role: Participation in a lecture.
URL: https://cost-cosy.eu/activity/1st-webinar-of-the-cost-action-cosy/ - PHYMOL 2nd Training School
Date: September 2-6, 2024
Location: St Catharine’s College in Cambridge, England
Role: Active participation in workshops and discussions.
URL: https://phymol.eu/events - 2nd Science Webinar of COST Action COSY
Date: September 18, 2024
Role: Participation in a lecture.
URL: https://cost-cosy.eu/activity/2nd-webinar-of-the-cost-action-cosy/ - CATCOSY 2024 — Meeting Facing Challenges: Subnanometric Metal and Metal-Oxide Catalysts and Photocatalysts
Date: September 26-27, 2024
Location: CSIC Central Campus, Madrid, Spain
Role: Participation in lectures and round-table session.
URL: https://cost-cosy.eu/activity/workshop-facing-challenges/ - WG3 Virtual Symposium – Young Scientists’ Forum (YSF) – Advancing the Frontiers of Nanocluster Research
Date: December 9, 2024
Role: Participation in lectures and discussions.
URL: https://cost-cosy.eu/activity/wg3-virtual-symposium-young-scientists-forum-ysf-advancing-the-frontiers-of-nanocluster-research/ - 3rd Science Webinar of COST Action COSY
Date: January 13, 2025
Role: Participation in a lecture.
URL: https://cost-cosy.eu/activity/3rd-webinar-of-the-cost-action-cosy/ - DC has been involved in the Spanish National Research Project of María Pilar de Lara-Castells “Confined Molecular Systems: The New Generation of Subnanometer–sized Materials (COSYES)”, Grant Number: PID2020–117605GB–I00
Soft-skills training
- The 2nd FemCOSY Virtual Meeting
Date: May 2, 2024
Role: Participation in lectures and round-table session.
URL: https://cost-cosy.eu/activity/the-2nd-femcosy-meeting/ - 1st «Listen-To-My-Presentation» COST Action CA21101 Workshop
Date: June 3, 2024
Role: Active participation in a workshop and discussion.
URL: https://cost-cosy.eu/activity/the-1st-listen-to-my-presentation-event/ - 2nd «Listen-To-My-Presentation» COST Action CA21101 Workshop
Date: November 25, 2024
Role: Active participation in a workshop and discussion.
URL: https://cost-cosy.eu/activity/the-2nd-listen-to-my-presentation-workshop/ - The 1st Face-to-Face FemCOSY Board Meeting
Date: January 24, 2025
Role: Participation in Gender Equality Plan preparation and round-table session.
URL: https://cost-cosy.eu/activity/the-1st-face-to-face-femcosy-board-meeting/