Deliverable 1: Description of the COST Action CA20129 "MultIChem" website and social media channels
The website of the COST Action CA20129 "MultIChem" was developed and has been actively maintained in the course of the Action. The website contains general and practical information about the Action, including the list of all MultIChem conferences, workshops / Working Group meetings, and training schools. It also contains complete information on publications produced by the Action members as well as on completed short-term scientific missions and supported virtual mobility grants. The website has been intended for MultIChem members and other researchers who wanted to join the Action or learn about its activities.
Complementary to the website, the MultIChem Action has set up Facebook and LinkedIn accounts to communicate the Action activities and results to a broader public. The use of social media channels has helped to keep the scientific community and the general public informed about news, results and events related to the MultIChem Action.
Deliverable 2: Progress report on studying irradiation-driven chemistry phenomena in complex molecular systems
Deliverable 4: Progress report on validation of the multiscale methodology for modelling irradiation driven chemistry processes in complex molecular systems
Deliverable 5: Progress report on optimisation of the existing technological solutions from the multiscale modelling of irradiation driven chemistry phenomena
Deliverables (2), (4) and (5) have been addressed in detail in the Roadmap paper "Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment". This seminal work, prepared by a group of MultIChem members, was published in the flagship journal Chemical Reviews and comprised over 100 journal pages and nearly 1,000 references. The roadmap provided an overview of the highly interdisciplinary research field studying the behaviour of condensed matter systems exposed to radiation and highlighted several examples of recent advances and future developments (Deliverables 2&5).
Sections 2-6 of the roadmap primarily aim at the broad interdisciplinary scientific community. Section 2 formulated the main concept for the multiscale theory and computational modelling of condensed matter systems exposed to radiation. Section 3 provided a comprehensive overview of the existing theoretical and computational methods for the description of condensed matter systems, their irradiation, and the post-irradiation phenomena (Deliverable 2). Section 4 discussed in detail the practical realisation of multiscale computational modelling in the research area covered by the roadmap (Deliverable 2). Section 5 discussed various aspects of validating multiscale theory and simulations of condensed matter systems exposed to radiation mainly through experiments (Deliverable 4). Section 6 presented a collection of case studies of multiscale phenomena underlying selected novel and emerging technologies. The particular focus of these case studies was how a computational multiscale modelling approach can address current scientific and technological challenges to achieve significant technological advances (Deliverable 5).
Overall, the roadmap paper serves as a guideline for future research and development activities in the field of computational multiscale modelling of irradiation-driven phenomena and their experimental validation. The paper outlined the potential for groundbreaking fundamental research, related innovation breakthroughs, and economic and societal impacts for the next decade should computational multiscale modelling (Deliverable 2), its experimental verification (Deliverable 4), and its links to technological applications (Deliverable 5) be fully developed.
Deliverable 3: Progress report on intersectoral cooperation between the academic and the industrial / clinical partners
From the start of the MultIChem Action, the International Atomic Energy Agency (IAEA) and software development companies (MBN Research Center gGmbH and Quantemol Ltd.) have actively participated in the Action. According to the MoU, the Action has engaged with representatives of industrial companies involved in radiation research and radiation-induced fabrication of nanostructures [Imec (Belgium) and Zeiss (Germany)], fabrication of functionalized NPs for biomedical applications [NH TherAguiX (France)], and companies providing materials and hardware for focused particle beam-based technologies of nanostructure fabrication [TESCAN (Czech Republic) and Quantum Design Microscopy (Germany)]. The list of companies has been extended to several companies in the field of plasma research – Eaton European Innovation Center and Roplass (both Czech Republic). The MultIChem Action has engaged with these companies by inviting their representatives to annual conferences and workshops. Representatives of some of these companies (TESCAN, Eaton European Innovation Center) have joined the Action as Working Group members and contributed to the Roadmap paper prepared by the Action members.
Special sessions at several annual MultIChem conferences (Prague, April 2023 & Heidelberg, July 2025) were devoted to presentations given by MultIChem industrial partners. Several industrial companies relevant to the scope of the Action (NH TherAguiX, Eaton European Innovation Center, Roplass, TESCAN, Zeiss) have presented their advances in the field of the synthesis and characterization of radiosensitising nanoparticles, radiation-induced plasma research, as well as materials and hardware for focused particle beam-based technologies of nanostructure fabrication and processing. These presentations have been examples of a successful engagement with the industry within the Action.
In addition, an industry-oriented intersectoral workshop "Industrial applications of irradiation-driven phenomena in condensed matter systems" was organised in Rethymno, Greece, in October 2024. The workshop aimed to enhance the interaction between academic and industrial partners in the technological areas considered in the COST Action MultIChem. Representatives from the industrial community were invited to the workshop, and the programme included a number of presentations from the industrial side. The workshop brought together representatives of industrial partners and informed them about state-of-the-art computational tools for multiscale modelling of physicochemical phenomena in condensed matter systems exposed to radiation. Engagement with the industrial partners within the Action facilitated the growth and further development of this research field and the intersectoral cooperation at the European level.
Deliverable 6: Summary report on the COST Action CA20129 "MultIChem" dissemination and outreach programme
Following the MoU, the MultIChem's dissemination approach has aimed at different target audiences, including a broad scientific community; representatives of industry and medical centers; policymakers, and the general public. The Action has reached out to these audiences through several mechanisms, including: (i) Using the Action's website to disseminate the aims and objectives of the Action and advertise its forthcoming meetings and training schools; (ii) Social media channels, such as Facebook, LinkedIn, and ResearchGate; (iii) Publications in leading international peer-reviewed journals (including Chemical Reviews, The Journal of the American Chemical Society, Angewandte Chemie International Edition, The Journal of Physical Chemistry Letters, Nanoscale, and many others) and presentations at annual MultIChem conferences, WG meetings and more thematically focused workshops; and (iv) Development of the Roadmap paper, which served as a guideline for future research and development activities in the field of computational multiscale modelling of irradiation-driven phenomena and their experimental validation. Overall, the adopted dissemination and outreach measures have contributed to strengthening Europe's leading role in multiscale modelling of irradiation-driven chemistry processes and their technological applications.
Four annual MultIChem conferences, seven smaller-scale workshops and three training schools were organised within the COST Action MultIChem. These events took place in ten different countries, ensuring geographical diversity and the active involvement of representatives from Inclusiveness Target Countries. Each annual MultIChem conference attracted 50 to 75 participants from Europe and International Partner Countries, including the USA, Japan and India. These meetings aimed to bring together experts from different research communities studying irradiation-driven chemistry processes, as well as other stakeholders (representatives from industry and radiotherapy centers), in order to consolidate their efforts towards technological breakthroughs in the development of novel and more advanced nanofabrication methods, novel radiosensitisers and nanocatalysts, and novel radiotherapy treatment protocols.
The research activities of MultIChem have resulted in the publication of over 70 research papers in international peer-reviewed (including high-profile) journals. Publications produced by MultIChem members have covered a broad range of topics related to the experimental, theoretical and computational studies of irradiation-driven chemistry processes in molecular and condensed matter systems.