Background required for ab initio thermodynamic calculations

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To perform ab initio calculations for thermodynamic properties of materials, a solid understanding of statistical thermodynamics, quantum mechanics, and molecular dynamics is essential. The discussion highlights the importance of these areas of physics and mathematics in accurately modeling material behavior. The specific thermodynamic properties and types of materials being studied can influence the required background knowledge. A resource mentioned for further reading is a book on modeling materials using continuum, atomistic, and multiscale techniques. Mastery of these concepts is crucial for effective thermodynamic analysis in materials science.
Azad Sonaye
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Can someone tell me the mathematical and physics background i need to perform ab initio calculations to determine thermodynamic properties of materials. I am a Mechanical engineer with a masters in Metallurgy
 
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Azad Sonaye said:
Can someone tell me the mathematical and physics background i need to perform ab initio calculations to determine thermodynamic properties of materials. I am a Mechanical engineer with a masters in Metallurgy
What sort of thermodynamic properties? What sort of materials?
 
Statistical Thermodynamics, quantum mechanics, molecular dynamics
 
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Thanks for your replies. I'm currently reading http://www.cambridge.org/us/academic/subjects/physics/computational-science-and-modelling/modeling-materials-continuum-atomistic-and-multiscale-techniques?format=HB
 
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