User Achintha Ihalage - Ask Ubuntu Meta

Achintha Ihalage

Member for 3 years, 5 months
Last seen more than 2 years ago

London, UK

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May 7, 2020

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19

Difference between potential energy, free energy and Coulomb energy in solid state physics

17

What are the ways to ensure thermodynamic stability of a DFT modelled new structure?

16

Ab initio molecular dynamics to check material stability at finite temperature

15

What ab initio methods are better suited to modelling disorder in materials?

14

How to analyze the space group of a relaxed structure that has fractional site occupancies