Please describe any activities conducted to disseminate the Action’s achievements. Examples include participation in non-Action meetings (not previously mentioned), meetings with EU Parliament members, policy makers, experts in the field, and regional authorities.
Poster presentation
16th National Physical Chemistry Meeting of the Portuguese Society of Chemistry
Target Audience: Portuguese researchers from the physical chemistry area
Result: Poster presentation: “Energetics and structures of borophene nanoclusters” by J.M.C. Marques, F. Zergani, M. Bartolomei, F. Pirani
2nd PHYMOL Training School, Queen Mary University of London, UK
Target Audience: PHYMOL MSCA DN Doctoral Candidates and Principal Investigators
Result: Active participation of B. Fernandez, A.Misquitta, P.Zuchowski, K.M. Krupka
1st PHYMOL Training School, Nicolaus Copernicus University in Torun, Poland
Target Audience: PHYMOL MSCA DN Doctoral Candidates and Principal Investigators
Result: Active participation of B. Fernandez, P.Zuchowski, A. Kaczmarek-Kedziera, D. Kedziera, K.M. Krupka
NanoLumCat Ostrava Workshop
Target Audience: Researchers in the fields of nanomaterials, photocatalysis, single atom catalysis and renewable energy.
Result: The workshop hosted about 30 participants from different fields, with oral contributions from 19 experts. One of the workshop organisers was a COSY MC Michal Otyepka, and six of the speakers were members of the COSY COST action (Michal Otyepka, Leticia Gonzales, Miroslav Medveď, Carlo Maria Carbonaro, Chiara Olla, Francesca Mocci), from working groups WG2 and WG3. Within the workshop, several of the COSY members presented findings and discussed the pre-submission details of a manuscript based on a collaboration that started at the COSY General Meeting in Cadiz (2023).
Three Examples of Efficient Evaluation of Intermolecular Interactions
Target Audience: 18th International Conference of Computational Methods in Sciences and Engineering.
Result: Invited on-line talk
http://www.history.iccmse.org/archives/ICCMSE2022/www.iccmse.org/index.html
TSRC Workshop on Intermolecular interactions: New challenges for ab initio theory.
Target Audience: TSRC Workshop on Intermolecular interactions: New challenges for ab initio theory.
Result: Workshop organization
https://meetings.telluridescience.org/meetings/workshop-details?wid=1130
Correcting intermolecular interactions in semiempirical methods: The FGC approach.
Target Audience: Confined Molecular Systems COSY 1st General Meeting
Result: Invited talk
https://cost-cosy.eu/activity/the-first-cosy-general-meeting/
The FGC approach for correcting noncovalent interactions in SQM methods
Target Audience: TSRC Workshop on Intermolecular interactions: New challenges for ab initio theory.
Result: Invited talk
https://meetings.telluridescience.org/meetings/workshop-details?wid=1130
Interpreting how intermolecular interactions determine the properties of supramolecular helices and the corresponding materials
Target Audience: World Congress of Advanced Materials (WCAM2023)
Result: Invited on-line talk
My Journey into Science
Target Audience: 2nd FEMCOSY event: Exchanging ideas to improve gender balance in scientific environment.
Result: Invited talk
The Functional Group Corrections (FGC) approach versus machine learning
Target Audience: 2nd COSY cost action general meeting
Result: Invited talk
https://cost-cosy.eu/activity/the-second-cosy-general-meeting/
NanoLumCat Ostrava Workshop: Revealing the Future of Light Transformation. Experts in the fields of carbon dots and single atom photocatalysis were united to broaden the horizons of nanomaterial science with a focus on renewable energy applications. The workshop invites participants to dive deep into the exciting worlds of carbon dots and single atom-based photo(electro)catalysis.
Target Audience: Scientist, researchers and students in the filed of chemistry, physics and engineering interested in carbon nanomaterials for environmental, energy and photonic applications
Result: There were 50 people attending the meeting, 25 talks were presented. Some cosy members involved: F. Mocci, C. Olla, C.M. Carbonaro (University of Cagliari, Italy); Miroslav Medveď (Matej Bel University, Slovak Republic), Michal Otyepka, Markéta Paloncýová (Catrin, Palacký University Olomouc, Czech Republic)
MACCS1: 1st Italian Chinese Swedish workshop on Modeling and Characterization of Complex Systems. The aim of the meeting is to understand and explain the behavior of complex systems of interest in the field of materials science, biotechnology, green chemistry through experiments combined with modeling at different scales.
Target Audience: Scientists, researchers and students in the field of Physics, Chemistry and Chemical Engineering
Result: There were 50 attending people, 16 talks and 16 poster presentations. Cosy member partecipating: F. Mocci, C.M. Carbonaro, C. Olla (University of Cagliari, Italy); Aatto Laaksonen (Stockholm University, Sweden); XiaoYan Ji, Leon Engelbrecht (Luleå University of Technology Luleå, Sweden); Narcis-Iulian Cibotariu (“Petru Poni” Institute of Macromolecular Chemistry, Iasi, Romania)
77th International Symposium on Molecular Spectroscopy , June 17-21, 2024, Urbana, Illinois, USA
Target Audience: The target audience of the 77th International Symposium on Molecular Spectroscopy includes a wide range of professionals and academics interested in molecular spectroscopy and related fields.
Result: Oral presentation (nr P7388): “THEORY MEETS EXPERIMENT: FT-IR INVESTIGATION OF HNCO/HNCS DIMERS AND COMPLEXES WITH SMALL MOLECULES OF ATMOSPHERIC IMPORTANCE” by Justyna Krupa, Maria Wierzejewska, Jan Lundell
Organisation of the The 15th International Conference on Quantum Fluid Clusters
Target Audience: All members of WG4 and other researchers working in the field of quantum fluid clusters
Result: Successful conference with 85 participants from all around the world
Conference
Target Audience: Biosimulations Community
Result: Poster presentation: “Molecular dynamics-driven selection of vectors for targeted delivery of doxorubicin” by G. Gocheva, S. Iliev, N. Markova, N. Ivanova, G. Madjarova, J. Petkova, A. Ivanova
https://bioexcel.eu/events/2nd-bioexcel-conference-on-advances-in-biomolecular-simulations/
