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This two-day workshop provides an accessible introduction to computational thermodynamics and ab initio calculations in materials design. Participants will learn the fundamentals of the CALPHAD method, thermochemical databases, and the workflow of interaction parameter optimization using experimental and ab initio data.

The workshop also introduces density functional theory (DFT) and its role in CALPHAD-oriented modeling, covering alloy simulations with Special Quasi-random Structures (SQS) and the inclusion of temperature and pressure effects. Lectures on both topics are complemented by hands-on sessions that provide participants with practical experience with modern computational approaches in materials science.

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