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Metals & Metal Oxides
Accurate Band Gaps of Correlated Transition-Metal Oxides from Hybrid-Functional Calculations
Adaptive Crystal Structures of Au-Cu Alloy
Adsorption and Dissociation of Iodine Molecules on a Zr Surface
Diffusion of Hydrogen in Nickel
Elastic coefficients and moduli for silicon carbide, corundum, and ferric tourmaline
Embedded Atom Method (EAM) Simulations with MedeA
Stability of Alkaline-Earth Hydrides
Stress-Strain Behavior of a Cu Nanowire
Structural Properties & Surface Area of Clay Minerals
Structure of an iron oxide (Fe2O3) surface as function of temperature and O2 pressure
Surface Magnetism of Fe(001)
The α-β-phase-transition of Ti Investigated Using a Machine-Learned Potential
Application Notes
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