CALPHAD by Machine Learning and for Machine Learning

Artificial intelligence and machine learning (AI/ML) has emerged as a transformative force in materials science, presenting both challenges and opportunities. At Thermo-Calc Software AB, we are striving toward a full integration of AI/ML into our CALPHAD (CALculation of PHAse Diagrams) framework, enabling new approaches for rapidly developing high-quality thermodynamic and kinetic databases as well as accurate and fast-acting materials property models that are critical to materials design.

Topics Include:

• Harnessing AI/ML for CALPHAD Database Development: Insights into our internal projects and the remarkable results achieved.
  
  
• Empowering Machine Learning with CALPHAD Data: How Thermo-Calc calculation results can be utilized to enhance AI/ML models for accelerated materials design.
  
  
• Success Stories and Pitfalls: Case studies showcasing the effective and problematic integration of CALPHAD calculations in addressing materials science challenges through Machine Learning.
  
  
• Guidance on Software and Data Usage: Clarifications on the use of Thermo-Calc Software's tools and data in training ML models, in accordance with our End User License Agreement.