The tutorial will be held at Templeman Library SR7, University of Kent, Canterbury CT2 7NH, United Kingdom.

Monday, July 04

09:30 - 09:45 Training course opening
09:45 - 11:00 Basics of MBN Explorer and MBN Studio
Short description of main features of MBN Explorer and MBN Studio: universality, tuneable force fields, multiscale approach, computational efficiency, etc.; areas of application of MBN Explorer and MBN Studio
11:00 - 11:20 Coffee break
11:20 - 12:00 Setting up the calculation
Specification of input files and formats, and instructions on how to run MBN Explorer
12:00 - 13:00 MBN Studio
An introduction to MBN Studio - a multipurpose toolkit for MBN Explorer - and an overview of its main features; overview of the MBN Explorer examples library, which contains the trial case studies representing certain physical experiments and demonstrating capacities of the program
13:00 - 14:30 Lunch
14:30 - 16:00 Gases, liquids, crystals, plasmas
Description of setting up simulations of gaseous, liquid and crystalline media with MBN Explorer; different types of boundary conditions; energy and temperature control in MBN Explorer
16:00 - 16:20 Coffee break
16:20 - 17:30 Atomic clusters and nanoparticles
Description of setting up calculations involving atomic clusters and nanoparticles; construction of clusters and nanoparticles with MBN Studio

Tuesday, July 05

09:30 - 11:00 Thermo-mechanical properties of materials
Investigation of thermo-mechanical properties of crystalline, nanostructured and amorphous materials by means of MD simulations of the nanoindentation process
11:00 - 11:20 Coffee break
11:20 - 13:00 Biomolecular systems
Exploration of dynamical processes with biomolecular systems; use of the molecular mechanics potential for setting up calculations of biomolecular systems; simulation of bond breakage processes in biomolecular systems using MBN Explorer
13:00 - 14:30 Lunch
14:30 - 16:00 Irradiation induced transformations of biomolecular systems
Exploration of dynamical processes related to the irradiation induced thermo-mechanical damage of molecular and biomolecular systems
16:00 - 16:20 Coffee break
16:20 - 17:30 Collision and irradiation induced processes
MD simulation of collision and irradiation-induced processes in organic and inorganic molecular systems and materials

Wednesday, July 06

9:30 - 11:00 Reactive and irradiation driven molecular dynamics (RMD and IDMD)
RMD and IDMD principles and case studies
11:00 - 11:20 Coffee break
11:20 - 13:00 Multiscale modelling by means of stochastic dynamics
Application of the stochastic dynamics approach for computational modelling of Meso-Bio-Nano systems
13:00 - 14:30 Lunch
14:30 - 16:00 Relativistic dynamics of particles propagating through medium
MD simulations of propagation of particles in various media, such as heterocrystalline structures, bent crystals, amorphous materials, solids, nanotubes, and biological environment, etc.
16:00 - 16:20 Coffee break
16:20 - 17:20 Novel lights sources beyond Free Electron Lasers
Presentation of the European EIC-PATHFINDER project TECHNO-CLS and related tasks
17:20 - 17:30 Tutorial closing and concluding remarks