Venue and Program

The Training Course will be held at the Laboratoire de Physique Théorique, IRSAMC, Université Paul Sabatier, 118 Route de Narbonne, 31062 Toulouse Cedex 4, France.

November 19, 9:00 - 12:30, meeting room on the 2nd floor

9:00-9:15 Training Course Opening
9:15-10:00 Basics of MBN Explorer
Short description of main features of MBN Explorer: universality, tuneable force fields, multiscale approach, computational efficiency, etc.
10:00-10:30 Setting up the calculation
Specification of input files and formats, and instructions on how to run the program
10:30-11:00 Coffee break
11:00-11:30 MBN Studio
An introduction to the graphical interface for MBN Explorer
11:30-12:00 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
12:00-12:30 Gases, liquids, crystals
Description of setting up simulations of gaseous, liquid and crystalline media with MBN Explorer

November 20, 14:00 - 17:30, seminar room on the 3rd floor

14:00-14:45 Atomic clusters and nanoparticles
Description of setting up calculations involving atomic clusters and nanoparticles.
14:45-15:30 Collision processes
MD simulation of dynamical processes occurring in organic and inorganic materials
15:30-16:00 Coffee break
16:00-16:45 Thermo-mechanical properties of materials
Investigation of mechanical properties of crystalline, nanostructured and amorphous materials by means of MD simulations of the nanoindentation process
16:45-17:30 Basics of VMD software
Basic introduction of the VMD software for visualization and construction of molecular systems

November 23, 9:00 - 12:30, seminar room on the 3rd floor

9:00-9:45 Pattern formation and evolution
Application of the stochastic Monte-Carlo-based dynamics for the analysis of fractal growth and post-growth relaxation processes.
9:45-10:30 Biomolecular damage: Thermo-mechanical mechanism
Exploration of dynamical processes related to the thermo-mechanical damage of molecular and biomolecular systems
10:30-11:00 Coffee break
11:00-11:45 Nanostructured materials
Exploration of dynamical processes related to the thermo-mechanical damage of molecular and biomolecular systems
11:45-12:15 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.
12:15-12:30 Tutorial Closing and Concluding Remarks