Browsing School of Physics by Subject "Ternary Alloys"

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    • Machine Learning for Novel Ternary Materials Discovery 

      Rossignol, Hugo Alexandre (Trinity College Dublin. School of Physics. Discipline of Physics, 2024)
      First principles codes based on DFT are now sufficiently accurate and efficient that they can be used in the design of novel materials with specifically selected properties. Doing so requires checking whether a compound ...