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 |