Venue and Program

The Training Course will be held at MBN Research Center, Altenhöferallee 3, 60438 Frankfurt am Main, Germany.

October 8, 10:00 - 15:00, Meeting room

10:00-10:15 Training Course Opening
10:15-11:00 Basics of MBN Explorer
Short description of main features of MBN Explorer: universality, tuneable force fields, multiscale approach, computational efficiency, etc.
11:00-11:30 Setting up the calculation
Specification of input files and formats, and instructions on how to run the program
11:30-12:00 MBN Studio
An introduction to the graphical interface for MBN Explorer
12:00-12:30 Coffee break
12:30-13:00 Overview of the examples library
Overview of the MBN Explorer examples library, which contains the trial case studies representing certain physical experiments and demonstrating capacities of the program
13:00-13:30 Gases, liquids, crystals
Description of setting up simulations of gaseous, liquid and crystalline media with MBN Explorer
13:30-14:15 Atomic clusters and nanoparticles
Description of setting up calculations involving atomic clusters and nanoparticles.
14:15-15:00 Collision processes
MD simulation of dynamical processes occurring in organic and inorganic materials

October 9, 10:00 - 14:30, Meeting room

10:00-10:45 Thermo-mechanical properties of materials
Investigation of mechanical properties of crystalline, nanostructured and amorphous materials by means of MD simulations of the nanoindentation process
10:45-11:30 Pattern formation and evolution
Application of the stochastic Monte-Carlo-based dynamics for the analysis of fractal growth and post-growth relaxation processes.
11:30-12:00 Coffee break
12:00-12:45 Biomolecular damage: Thermo-mechanical mechanism
Exploration of dynamical processes related to the thermo-mechanical damage of molecular and biomolecular systems
12:45-13:30 Nanostructured materials
Exploration of dynamical processes related to the thermo-mechanical damage of molecular and biomolecular systems
13:30-14:15 Propagation of particles through medium
MD simulations of propagation of particles in various media, such as heterocrystalline structures, bent crystals, amorphous materials, solids, nanotubes, biological environment, etc.
14:15-14:30 Tutorial Closing and Concluding Remarks