Industrial Applications of Computer Modelling

Explores binary systems, phase diagrams, and elastic properties in materials science, emphasizing phase equilibria and material behavior under deformation.

Computational Materials Science: CALPHAD

Explores the principles of Computational Materials Science, emphasizing CALPHAD and the design of high-performance alloys.

Car-Parrinello molecular dynamics

Explores Car-Parrinello molecular dynamics, a unified approach combining molecular dynamics and density-functional theory for simulating various systems, with a focus on historical background, technical details, and challenges in atomistic simulations.