Ab initio and model calculations on different phases of Zirconia

Míreanna comhchosúla

• Transferable atomistic model to describe the energetics of zirconia
  de réir: Wilson, M, et al.
  Foilsithe / Cruthaithe: (1996)
• Machine learning potential for Ab Initio phase transitions of zirconia
  de réir: Yuanpeng Deng, et al.
  Foilsithe / Cruthaithe: (2023-11-01)
• Extended ionic models from ab initio calculations
  de réir: Wilson, M
  Foilsithe / Cruthaithe: (2000)
• Transferable ionic simulation models from ab initio calculations
  de réir: Wilson, M
  Foilsithe / Cruthaithe: (2000)
• Ab initio calculations on uracil-water
  de réir: van Mourik, T, et al.
  Foilsithe / Cruthaithe: (1999)