This training school aims at people familiar with the basics of molecular dynamics (MD) simulations who wish to broaden their knowledge of methods used to study complex systems. The goal of this event is to provide the participants with a comprehensive overview of methods for studying complex systems, including the theory of force fields, combining different molecular types and subsequent analyses.

The first day of this two-day school will feature an introduction to MD force fields and their use above the beginner level of understanding. This will be followed by lectures and workshops on proper simulation workflows for systems containing biomolecules (nucleic acids, lipids) separately. On the second day, focus will shift nanomaterials and to the process of combining different systems together.

This training school is free of charge and intended for students and researchers with working knowledge of molecular dynamics.

The COST Action COSY aims to provide a computationally and experimentally sound foundation for the fundamental understanding and control of confined molecular systems. The resulting outcome will be translated into useful knowledge forming the basis for applications. These range from creating a new generation of materials including biomaterials, with immediate transfer to industry, to disclosing the chemistry occurring in space. To this end, COSY will combine new cutting-edge experimental techniques for the synthesis of novel nanomaterials and high-resolution characterization thereof, with state-of-the-art first principles modelling. The most advanced methods for molecular motion as well as modern artificial intelligence, machine learning technologies, and big data science will be applied.

COSY COST Action coordinators: María Pilar de Lara-Castells (Chair), Cristina Puzzarini (Vice Chair)