The summer school was organised in the framework of the COST ACTION CA21101 - Confined Molecular Systems: From A New Generation Of Materials To The Stars ( COSY). Prof. Aatto Laaksonen as well as Prof Andrei Neamtu have participate as trainers and Dr. Tudor Vasiliu, Razvan Puf and Narcis Ciubotariu have participate as students.
The goal of this Training School was to provide an overview of current modelling and computational methods and their applications to treat interaction and dynamics of molecular systems either isolated or in confined environments, which may consist of enclosing molecular cages, surfaces, interfaces as well as of strong electromagnetic static or optical fields. These compounds are important in fundamental and applied sciences and have industrial and astrophysical relevance. The Training School focused on modern problems where the system complexity is treated at several scales. Thus, the scientific program covered a broad range of topics, including physical and chemical aspects of multiscale modeling of solids, gases, liquid mixtures, fluid-structure interaction, and biopolymers (proteins and nucleic acids), focusing on the study of the effect of the molecular crowding on the structure and dynamics of biological macromolecules, the self-assembling patterns in reaction-diffusion systems, the use of quantum, semi-classical, and classical methods for the characterization of electronic structure and dynamics of molecules and clusters.

Prof. Aatto Laaksonen had a training on Introduction To Modern Molecular Modelling And Simulations

Dr. Andrei Neamtu trained on Sampling Strategies For Complex Systems: Enhanced-Sampling Simulations For The Study Of Biomolecules

The summer school was a very good opportunity also for the students to present their work thus on behalf of the BioMat4CAST projects the following knowledge poster have been presented:
- "Sliding down the minor groove of a DNA molecule. Using umbrella sampling to evaluate Sequence specificity of diminazene” T Vasiliu, R Puf, A Laaksonen and M Pinteală COST Training school 2023, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications" training school, Belgrade, September 19-22, 2023
- Evaluating the influence of spermidine on DNA G-quadruplex stability : a molecular dynamics study N I Cibotariu, T Vasiliu, R Puf, Francesca Mocci
- Enhancing Real-Time PCR Performance: Evaluation of Bis-Acridine Orange Dyes for DNA Detection using Umbrella Sampling and Molecular Dynamics"; Razvan Puf ,Tudor Vasiliu, Aatto Laaksonen,Francesca Mocci, Olesia G. Kulyk