Matter Modeling Beta
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Achintha Ihalage

Apparently, this user prefers to keep an air of mystery about them.

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  • London, UK
  • Member for 1 year, 1 month
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  • Last seen Jul 19 at 17:00

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18 What are the ways to ensure thermodynamic stability of a DFT modelled new structure? Jun 12 '20
17 Difference between potential energy, free energy and Coulomb energy in solid state physics Jul 8 '20
15 What ab initio methods are better suited to modelling disorder in materials? Jul 21 '20
15 Ab initio molecular dynamics to check material stability at finite temperature Jul 2 '20
13 How to analyze the space group of a relaxed structure that has fractional site occupancies Jun 11 '20
12 How does the atomic arrangement look like in a compound that has partial/mixed site occupancies Jun 18 '20
11 How would you report the lattice parameters of an alloy, modelled using a supercell Aug 16 '20
11 What are some examples of active learning methods used in atomistic machine learning? Jun 13 '20
10 Has materials modeling made any specific contribution to the success of perovskite solar cells, or has it only been experimental? Jun 13 '20
10 What is the current status of machine learning applied to materials or molecular systems? Jun 12 '20
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