Multiscale modeling of the properties of compounds:
From isolated molecules to 3D materials relevant for industrial and astrophysical applications

COST Training School 2023

The Training School: "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications" is organized by the COST action CA21101 COSY.


The goal of this Training School is 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. Thе Training School will focus on modern problems where the system complexity is treated at several scales. Thus, the scientific program should cover 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.

The School is intended for all researchers engaged in computational modelling in material science, chemistry, physics, biology, and engineering.

Our Training School will comprise four days of lectures, complemented by exercises, aimed to provide a practical insight into the selected problems within the different fields covered. In addition, the School will host poster sessions where the trainees will have the opportunity to present their work, creating new synergies among the young researchers and lecturers.


COST Action CA21101 COSY coordinators:

María Pilar de Lara-Castells – Action Chair

Cristina Puzzarini – Action Vice Chair

COST ACTION CA21101

COST ACTION CA21101 - CONFINED MOLECULAR SYSTEMS: FROM A NEW GENERATION OF MATERIALS TO THE STARS ( COSY)


This COST Action 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 bio-materials, with immediate transfer to industry, to disclosing the chemistry occurring in space. To this end, the Action 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.


Training School 2023 Belgrade action COSY

Training School-COST-COSY
2023, Belgrade

The Training School: "Multiscale modeling of the properties of compounds:
From isolated molecules to 3D materials relevant for industrial and astrophysical applications".

training school-cost-cost

COST,
European Cooperation in Science and Technology

COST
training school-cost-cost

The COST Action CA21101
– COSY –


COSY
training school-cost-cost

Institute of Chemistry, Technology and Metallurgy (ICTM), National Institute of the Republic of Serbia

ICTM

Training School, 2023, Belgrade

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