The tutorial will be held at the University of Southern Denmark, Campusvej 55, 5230 Odense M.

Saturday, October 06

10:00 - 10:15 Training course opening
10:15 - 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 - 11:50 Setting up the calculation
Specification of input files and formats, and instructions on how to run MBN Explorer
11:50 - 12:50 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
12:50 - 14:00 Lunch
14:00 - 15:00 Gases, liquids, crystals
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
15:00 - 16:00 Atomic clusters and nanoparticles
Description of setting up calculations involving atomic clusters and nanoparticles; construction of clusters and nanoparticles with MBN Studio
16:00 - 16:30 Coffee break
16:30 - 17:30 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
17:30 - 18:30 Collision and irradiation induced processes
MD simulation of collision and irradiation-induced processes in organic and inorganic molecular systems and materials

Sunday, October 07

9:30 - 10:30 Multiscale modeling: composite materials and material interfaces
Application of the kinetic Monte Carlo method for simulations of fractal structures growth and their post-growth relaxation
10:30 - 11:30 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
11:30 - 12:00 Coffee break
12:00 - 13:00 Irradiation induced transformations of biomolecular systems
Exploration of dynamical processes related to the irradiation induced thermo-mechanical damage of molecular and biomolecular systems
13:00 - 14:00 Lunch
14:00 - 15:00 Modeling of focused electron beam-induced deposition
Introduction to the concept of irradiation-driven molecular dynamics; MD simulations of the focused electron-beam induced deposition process
15:00 - 15:15 Tutorial closing and concluding remarks