Add to ORKGThesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 1997.Includes bibliographical references (p. 209-226).by Adrián Favio Kohan.Ph.D
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, ...
The relative energetic stability of the structural phases of common antiferromagnetic transition-met...
Enabled by dramatic advancements in computational capabilities and the tightening integration of the...
The first‐principles calculation of finite‐temperature phase stability and thermodynamic properties ...
This presentation focuses on the energy landscapes of bulk oxide materials, modeled at the level of ...
The correct calculation of formation enthalpy is one of the enablers of ab-initio computational mate...
This poster focuses on an energy landscape study of bulk oxide systems, a specific example being a m...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, ...
ABSTRACT: A state-of-the-art thermodynamic database has been developed for multicomponent oxide syst...
We present an analysis of the polymorphic energy ordering and properties of the rock salt and zincbl...
The evaluation of reaction energies between solids using density functional theory (DFT) is of pract...
The renormalized adiabatic PBE (rAPBE) method has recently been shown to comprise a significant impr...
The present investigation demonstrates how configurational entropy stabilises rock-salt type single ...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Physics, 2006.Includes bibliographi...
Thesis (M.S.)--Massachusetts Institute of Technology, Dept. of Nuclear Engineering, 1978.MICROFICHE ...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, ...
The relative energetic stability of the structural phases of common antiferromagnetic transition-met...
Enabled by dramatic advancements in computational capabilities and the tightening integration of the...
The first‐principles calculation of finite‐temperature phase stability and thermodynamic properties ...
This presentation focuses on the energy landscapes of bulk oxide materials, modeled at the level of ...
The correct calculation of formation enthalpy is one of the enablers of ab-initio computational mate...
This poster focuses on an energy landscape study of bulk oxide systems, a specific example being a m...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, ...
ABSTRACT: A state-of-the-art thermodynamic database has been developed for multicomponent oxide syst...
We present an analysis of the polymorphic energy ordering and properties of the rock salt and zincbl...
The evaluation of reaction energies between solids using density functional theory (DFT) is of pract...
The renormalized adiabatic PBE (rAPBE) method has recently been shown to comprise a significant impr...
The present investigation demonstrates how configurational entropy stabilises rock-salt type single ...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Physics, 2006.Includes bibliographi...
Thesis (M.S.)--Massachusetts Institute of Technology, Dept. of Nuclear Engineering, 1978.MICROFICHE ...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, ...
The relative energetic stability of the structural phases of common antiferromagnetic transition-met...
Enabled by dramatic advancements in computational capabilities and the tightening integration of the...