The tutorial will be held at the Darwin Suites, University of Kent, Canterbury CT2 7NH, United Kingdom.
Thursday, November 29
| 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 |
Friday, November 30
| 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 - 16:00 |
Propagation of particles 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 - 16:15 | Tutorial closing and concluding remarks |