Browsing by Subject "High-throughput calculations"

Now showing items 1-2 of 2

    • Design of Novel Magnetic Materials with Machine-Learning and High-Throughput Techniques 

      Minotakis, Michail (Trinity College Dublin. School of Physics. Discipline of Physics, 2024)
      The importance of magnetic materials in modern applications is unquestionable. They are used in a wide range of applications, going from data storage devices to green energy production. This class of materials is well known ...

    • Reactivity of transition-metal alloys to oxygen and sulfur 

      Tiwari, Rajarshi; Sanvito, Stefano (2021)
      Oxidation and tarnishing are the two most common initial steps in the corrosive process of metals at ambient conditions. These are always initiated with O and S binding to a metallic surface, so that one can use the ...