Molecular Dynamics for Material Simulation – Training Services

Molecular Dynamics for Material Simulation – Training Services provides specialized training on atomistic simulation methods to study the behavior of materials at the molecular and nanoscale. The program covers the fundamentals of molecular dynamics (MD), interatomic potentials, force fields, and simulation workflows. Participants will learn how to set up MD models, perform simulations using tools like LAMMPS or GROMACS, and analyze results such as diffusion, mechanical properties, thermal conductivity, and phase transitions. Emphasis is placed on applications in nanomaterials, polymers, biomaterials, and advanced alloys. Practical sessions guide learners in scripting, visualization, and validating simulation data with experimental results. By the end of the course, participants will be proficient in applying MD simulations for research, material design, and predictive analysis.