Background required for ab initio thermodynamic calculations

Azad Sonaye · Jun 6, 2016

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

SteamKing · Jun 7, 2016

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?

Chestermiller · Jun 7, 2016

Statistical Thermodynamics, quantum mechanics, molecular dynamics

Azad Sonaye · Jul 31, 2016

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

Background required for ab initio thermodynamic calculations

Discussion

Similar threads

Implementing “Ab initio” approach in molecular mechanics method

Graduate An ab initio Hilbert space formulation of Lagrangian mechanics

Graduate Recovering Wavefunction in Periodic Ab Initio Calculations

Undergrad Ab Initio methods for chemical reactions?

Graduate Ab initio calculation of neutron-proton mass difference

Prob/Stats Books on Machine Learning without a strong math background required

Undergrad Background required for Noether's Theorem?

Graduate Which code has superior pseudopotentials for ab initio quantum calculations?

Running ab initio calculations on molecules with lone pairs in HyperChem 8.0

Graduate Background required for general relativity