• Bridging scales with thermodynamics: From nano to macro 

      Kjelstrup, Signe; Schnell, Sondre K.; Vlugt, Thijs J.H.; Simon, Jean-Marc; Bardow, André; Bedeaux, Dick; Trinh, Thuat (Journal article; Peer reviewed, 2014)
      We have recently developed a method to calculate thermodynamic properties of macroscopic systems by extrapolating properties of systems of molecular dimensions. Appropriate scaling laws for small systems were derived using ...
    • DFT study of MXenes 

      Ness, Henrik (Master thesis, 2021)
      The development of Rechargable Magnesium Batteries (RMB) has been an active area of research over the past decades, and is a promising alternative to state-of-the art Li-ion batteries. It is promising because it could offer ...
    • DFT Study of the Defect Chemistry in the Lithium-Garnet LLZO with Dopants Al, Zn, and Mg 

      Keck, Phillip (Master thesis, 2020)
      Granat Li7La3Zr2O12 (LLZO) er et ledende materiale i jakten på et effektivt elektrolyttmateriale i faststoff-litiumbatteriet. Aliovalente dopemidler som det velkjente Al har vist seg å stabilisere den kubiske fasen, som ...