COSY Training School - Topics

Intermolecular interactions
Intermolecular interactions

Theoretical tools aiming to calculate interaction potentials between molecular systems and complex environments: first principle methodologies and semi-empirical approaches.

Molecular motion in confined systems
Molecular motion in confined systems

Theoretical tools aiming to calculate Molecular motion in confined systems: Classical Dynamics (CD), Quantum Dynamics (QD), and Monte Carlo (MC).

Applications
Applications

Applications: Metal–Organic Frameworks (MOFs), Clusters, Biomolecules, Spectroscopy, Astrochemistry.

COST Training School - Program

Training School - Program

The goal of the Training School COST COSY 2023 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.

All lectures will be held at Hotel Palace, Panorama Hall, 6th floor.


NEW: Please download the preliminary Timetable for the upcoming Training School in Belgrade here:

Timetable of the COST Training School



NEW: Please download the Book of Abstracts for the upcoming Training School in Belgrade here:

Book of Abstracts

Training School - Topics

The lectures will cover three families of topics

Intermolecular interactions

First Principle Methodologies and Semi-Empirical Approaches


Molecular motion in confined systems

Classical Dynamics (CD), Quantum Dynamics (QD), Monte Carlo (MC)


Applications

Metal–Organic Frameworks (MOFs), Clusters, Biomolecules, Spectroscopy, Astrochemistry





Lecture titles

Intermolecular interactions and Clusters
  • María Pilar de Lara-Castells
Semiclassical Dynamics and
Electronic Spectroscopy
  • Jiri Vanicek

Highly accurate Quantum Chemical calculations for gas-phase spectroscopy and/or structure and properties. Astrochemical applications
  • Cristina Puzzarini

Capture of carbon dioxide on functionalized gold clusters and surfaces
  • Majdi Hochlaf

Molecules in Motion: Symmetries and primary processes between less than yoctoseconds and more than days
  • Martin Quack

Monte Carlo simulations and visualization of porous materials
(Metal-organic frameworks). Force field development
  • Sonja Grubišić

Introduction to Modern Molecular Modelling and Simulations
  • Aatto Laaksonen
Molecular dynamics and Coarse-grained models
  • Francesca Mocci

Sampling strategies for complex systems: enhanced-sampling simulations for the study of biomolecules
  • Andrei Neamtu


Computer-Aided Drug Design
  • Miljan Dašić



Training School, 2023, Belgrade

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