Přehled
Molecular Dynamics (MD) is a computer simulation method that describes the motion of atoms and molecules. The trajectories of atoms and molecules are typically determined by numerically solving Newton’s equations of motion for a system of interacting particles, where the forces between particles and their potential energy are often calculated using interatomic potentials or molecular mechanical force fields. This method is primarily used in chemistry, physics, materials science, and biophysics.
The aim of the internship, which is particularly suitable for students in materials science and physical chemistry fields, is to become familiar with materials research in the Group of Materials with Controlled Microstructure and to apply the MD method to one of the materials studied within the group. Suitable areas where MD should help in understanding the phenomena being studied include the effects of defects and temperature on mechanical properties or grain boundary segregation.
